meta_hmdb_anno.xls

#ID	Name	HMDB_ID	kingdom	super_class	class	sub_class	pubchem_compound_id	cas_registry_number
pos_1	D-erythro-Dihydrosphingosine	HMDB0000269	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	91486	764-22-7
pos_1001	Hexylamine	HMDB0032323	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	8102	111-26-2
pos_1004	DG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	HMDB0007525	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478305	_
pos_1005	Bovinic acid	HMDB0003797	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	5280644	2540-56-9
pos_1007	PE(14:0/22:4(7Z,10Z,13Z,16Z))	HMDB0008844	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924126	_
pos_1009	Desvenlafaxine	HMDB0015646	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	125017	93413-62-8
pos_1017	PE(15:0/18:4(6Z,9Z,12Z,15Z))	HMDB0008898	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924165	_
pos_1018	PC(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	HMDB0008615	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53479237	_
pos_1025	Deoxyadenosine	HMDB0000101	Organic compounds	Nucleosides, nucleotides, and analogues	Purine nucleosides	Purine 2'-deoxyribonucleosides	13730	958-09-8
pos_1026	DG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/0:0)	HMDB0007284	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478126	_
pos_1027	2-Oxoarginine	HMDB0004225	Organic compounds	Organic acids and derivatives	Keto acids and derivatives	Short-chain keto acids and derivatives	558	3715-10-4
pos_1036	Amdinocillin	HMDB0015294	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	36273	32887-01-7
pos_1041	TG(22:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0046452	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131757375	_
pos_1046	Lucyoside R	HMDB0032836	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	73745597	206270-86-2
pos_1050	Brassinolide	HMDB0041130	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	3239	78821-43-9
pos_1062	Annosquamosin B	HMDB0031379	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	51136563	177742-56-2
pos_1067	PE(22:0/24:1(15Z))	HMDB0009509	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	9546991	_
pos_1085	Arginyl-Proline	HMDB0028717	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	151003	2418-69-1
pos_1092	Octreotide	HMDB0014262	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	6400441	83150-76-9
pos_1097	DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)	HMDB0007077	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	53478006	_
pos_1100	3a,7a-Dihydroxycoprostanic acid	HMDB0000359	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	5284239	17974-66-2
pos_111	PE(16:0/0:0)	HMDB0011503	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	9547069	53862-35-4
pos_1115	PG(16:1(9Z)/18:1(11Z))	HMDB0010588	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	53480606	_
pos_112	Hyacinthin	HMDB0006236	Organic compounds	Benzenoids	Benzene and substituted derivatives	Phenylacetaldehydes	998	122-78-1
pos_1125	PS(18:1(9Z)/18:2(9Z,12Z))	HMDB0012391	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	52926065	_
pos_1129	Octanoylglucuronide	HMDB0010347	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	127448	99910-55-1
pos_1131	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/0:0)	HMDB0007767	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478518	_
pos_1136	Uralenolide	HMDB0038797	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	_	131752468	111150-27-7
pos_1138	Epitheaflagallin 3-O-gallate	HMDB0033288	Organic compounds	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	14520971	102067-92-5
pos_1143	PE(15:0/20:2(11Z,14Z))	HMDB0008901	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924168	_
pos_1145	PC(15:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0007956	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53478653	_
pos_1147	DG(14:1(9Z)/15:0/0:0)	HMDB0007039	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53477974	_
pos_1153	4-Hydroxydebrisoquine	HMDB0006468	Organic compounds	Organoheterocyclic compounds	Tetrahydroisoquinolines	_	107669	59333-79-8
pos_1159	DG(18:1n7/0:0/18:2n6)	HMDB0056183	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	131801892	_
pos_1160	Threoninyl-Glycine	HMDB0029061	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	7010575	686-44-2
pos_1161	PS(18:0/18:3(9Z,12Z,15Z))	HMDB0012381	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	52925426	_
pos_1165	Estradiol	HMDB0000151	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids	5757	50-28-2
pos_1166	Neogrifolin	HMDB0030053	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	9874426	23665-96-5
pos_1169	Testosterone	HMDB0002833	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Sulfated steroids	119207	651-45-6
pos_117	4'-METHOXYCHALCONE	HMDB0032585	Organic compounds	Phenylpropanoids and polyketides	Linear 1,3-diarylpropanoids	Chalcones and dihydrochalcones	641818	22966-19-4
pos_118	Oxindole	HMDB0061918	Organic compounds	Organoheterocyclic compounds	Indoles and derivatives	Indolines	321710	59-48-3
pos_1180	Ustiloxin B	HMDB0041373	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	85067000	151841-41-7
pos_1193	Glabrene	HMDB0029530	Organic compounds	Phenylpropanoids and polyketides	Isoflavonoids	Pyranoisoflavonoids	480774	60008-03-9
pos_1195	3-Succinoylpyridine	HMDB0000992	Organic compounds	Organic acids and derivatives	Keto acids and derivatives	Gamma-keto acids and derivatives	437	4192-31-8
pos_1201	TG(8:0/8:0/i-17:0)	HMDB0071439	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131778244	_
pos_1204	Androsterone	HMDB0000031	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	5879	53-41-8
pos_1207	PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008255	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	52922939	_
pos_1210	Alloxanthin	HMDB0036874	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	12305997	28380-31-6
pos_1215	O-Ureidohomoserine	HMDB0012271	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	21126175	51767-67-0
pos_1230	gamma-Chaconine	HMDB0033678	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	12302826	511-36-4
pos_1237	Steviobioside	HMDB0036707	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	16401639	41093-60-1
pos_1241	Acarbose	HMDB0014429	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	441184	56180-94-0
pos_1247	PE(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0009142	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479677	_
pos_1248	Cerebroside B	HMDB0035990	Organic compounds	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	10010147	88642-46-0
pos_1250	Valyl-Threonine	HMDB0029137	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	_	72636-02-3
pos_1251	Ganoderic acid H	HMDB0035987	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	73657194	98665-19-1
pos_1252	Docosahexaenoic acid	HMDB0002183	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	445580	6217-54-5
pos_1254	Dihydrocapsiate	HMDB0034781	Organic compounds	Benzenoids	Phenols	Methoxyphenols	9873754	_
pos_1257	PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009276	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924571	_
pos_1260	Vitamin A2	HMDB0013117	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Retinoids	6436043	79-80-1
pos_1264	1-Methylhistidine	HMDB0000001	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	92105	332-80-9
pos_1267	L-Histidine	HMDB0000177	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	6274	71-00-1
pos_1270	PC(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0007923	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53478631	_
pos_1271	DG(20:0/0:0/20:2n6)	HMDB0056075	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	131801789	_
pos_1275	L-Histidinol	HMDB0003431	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	165271	4836-52-6
pos_1276	PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0008944	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479589	_
pos_1282	Dolichyl diphosphate	HMDB0001513	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Polyprenols	24892721	37247-98-6
pos_1285	1-Cyano-2-hydroxy-3-butene	HMDB0031339	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	91586	7451-85-6
pos_1286	L-Urobilinogen	HMDB0004157	Organic compounds	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	9548718	17095-63-5
pos_1289	Licorisoflavan A	HMDB0034184	Organic compounds	Phenylpropanoids and polyketides	Isoflavonoids	O-methylated isoflavonoids	5319704	129314-37-0
pos_1295	PE(20:3(8Z,11Z,14Z)/22:0)	HMDB0009369	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924629	_
pos_1301	PS(14:1(9Z)/18:2(9Z,12Z))	HMDB0012347	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	52925231	_
pos_1307	DG(14:1(9Z)/20:0/0:0)	HMDB0007049	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53477984	_
pos_1313	LysoPE(0:0/20:3(11Z,14Z,17Z))	HMDB0011484	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480933	_
pos_1315	Isopropylmaleate	HMDB0012241	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5280533	44976-69-4
pos_1318	Deoxyloganic acid	HMDB0037028	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	4490284	92842-56-3
pos_1323	Guanidinosuccinic acid	HMDB0003157	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	439918	6133-30-8
pos_1329	Indolylacryloylglycine	HMDB0006005	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	5370648	3475-68-1
pos_1339	PE(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0009137	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924404	_
pos_1350	Nandrolone phenpropionate	HMDB0002725	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids	9904	434-22-0
pos_1366	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0048297	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	_	_
pos_1369	Alanyltryptophan	HMDB0013209	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	85362	16305-75-2
pos_1388	2,3-Dehydrosilybin	HMDB0040513	Organic compounds	Lignans, neolignans and related compounds	Flavonolignans	_	5467200	25166-14-7
pos_1392	6-Gingesulfonic acid	HMDB0038999	Organic compounds	Benzenoids	Phenols	Methoxyphenols	126890	145937-21-9
pos_1394	Nandrolone decanoate	HMDB0002725	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids	9904	434-22-0
pos_1396	Myristoylglycine	HMDB0013250	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	72348	_
pos_1398	Gemfibrozil	HMDB0015371	Organic compounds	Benzenoids	Phenol ethers	_	3463	25812-30-0
pos_14	Decanoic acid	HMDB0000513	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	2969	59906-14-8
pos_1416	Ustiloxin A	HMDB0039640	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	4480102	141044-51-1
pos_1419	Lysyl-Valine	HMDB0028964	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	6992341	20556-11-0
pos_1421	DG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007643	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543962	_
pos_1423	PI(16:0/20:2(11Z,14Z))	HMDB0009786	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	_	_
pos_1425	Hydroxyhomodestruxin B	HMDB0039897	Organic compounds	Organic acids and derivatives	Peptidomimetics	Depsipeptides	85262217	_
pos_1426	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/0:0)	HMDB0007579	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543909	_
pos_1427	Erythrohydrobupropion	HMDB0012227	Organic compounds	Benzenoids	Benzene and substituted derivatives	Phenylpropanes	445	_
pos_1428	Phenylalanyl-Valine	HMDB0029008	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	7359121	3918-90-9
pos_1429	5-Taurinomethyl-2-thiouridine	HMDB0011610	Organic compounds	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	_	53481004	497258-54-5
pos_1430	PC(20:4(5Z,8Z,11Z,14Z)/18:0)	HMDB0008431	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	52923291	_
pos_1431	Niazimicin A	HMDB0031944	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	10247749	147821-49-6
pos_1438	Isometheptene	HMDB0015651	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	22297	503-01-5
pos_1439	Glutamyl-Phenylalanine	HMDB0029156	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	18653118	20556-22-3
pos_144	Ethyl 3-(methylthio)propanoate	HMDB0040413	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acid derivatives	61592	13327-56-5
pos_1440	Ethyl glucuronide	HMDB0131286	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	21845293	_
pos_1442	DG(16:0/18:1(11Z)/0:0)	HMDB0007101	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543972	_
pos_1444	Vanillic acid-4-O-glucuronide	HMDB0060024	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	101579718	18191-12-3
pos_1445	Koryoginsenoside R1	HMDB0041351	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	131753115	171674-97-8
pos_1447	3-alpha-Androstanediol glucuronide	HMDB0010339	Organic compounds	Alkaloids and derivatives	Morphinans	_	24883428	_
pos_1448	Valyl-Isoleucine	HMDB0029130	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	7010531	20556-14-3
pos_1470	PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	HMDB0009476	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479838	_
pos_1479	Alanyl-Proline	HMDB0028695	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	83525	13485-59-1
pos_1481	delta-Methylionone	HMDB0032397	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	5463913	7784-98-7
pos_149	cis-Resveratrol	HMDB0041772	Organic compounds	Phenylpropanoids and polyketides	Stilbenes	_	25113755	_
pos_1492	TG(10:0/8:0/8:0)	HMDB0072193	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	73416182	_
pos_1493	TG(8:0/8:0/i-12:0)	HMDB0071469	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131778274	_
pos_1498	PC(DiMe(11,5)/MonoMe(11,3))	HMDB0061404	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	_	_
pos_1500	Aesculin	HMDB0030820	Organic compounds	Phenylpropanoids and polyketides	Coumarins and derivatives	Coumarin glycosides	5281417	531-75-9
pos_1503	PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009573	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924802	_
pos_1510	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007585	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543951	_
pos_1517	Dethiobiotin	HMDB0003581	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	445027	533-48-2
pos_1518	L-phenylalanyl-L-proline	HMDB0011177	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	7020641	7669-65-0
pos_152	Biliverdin IX	HMDB0001008	Organic compounds	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	5353439	114-25-0
pos_1521	Matesaponin 3	HMDB0040964	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	73157196	164178-28-3
pos_1522	DG(14:0/16:1(9Z)/0:0)	HMDB0007012	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53477950	_
pos_1523	3-Hydroxyhexadecanoylcarnitine	HMDB0013336	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	126456228	195207-76-2
pos_1525	Propylene glycol alginate	HMDB0039860	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	131752735	_
pos_153	Ursolic acid	HMDB0002395	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	64945	77-52-1
pos_154	Necatorine	HMDB0031330	Organic compounds	Organohalogen compounds	Alkyl halides	Halomethanes	5943	56-23-5
pos_1541	Tryptophanol	HMDB0003447	Organic compounds	Organoheterocyclic compounds	Indoles and derivatives	Indoles	10685	526-55-6
pos_1543	Monomenthyl succinate	HMDB0036143	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	10199004	188709-97-9
pos_155	Alpha-Calacorene	HMDB0036453	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	528708	21391-99-1
pos_1565	DG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	HMDB0007205	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478080	_
pos_1566	(-)-alpha-Narcotine	HMDB0033439	Organic compounds	Alkaloids and derivatives	Phthalide isoquinolines	_	275196	128-62-1
pos_1569	Propoxyphene	HMDB0001847	Organic compounds	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	2519	58-08-2
pos_1570	Panaxynol	HMDB0039588	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	5353620	81203-57-8
pos_1573	Nicotinuric acid	HMDB0003269	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	68499	583-08-4
pos_1579	Ginsenoside Rh1	HMDB0039554	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	12855917	63223-86-9
pos_1581	Bicine	HMDB0011727	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	8761	150-25-4
pos_1588	Americanin A	HMDB0030834	Organic compounds	Organoheterocyclic compounds	Benzodioxanes	Phenylbenzodioxanes	131751085	69506-79-2
pos_159	3-Phenoxypropionic acid	HMDB0002229	Organic compounds	Benzenoids	Benzene and substituted derivatives	3-phenoxypropionic acids	81596	7170-38-9
pos_1593	PG(16:0/18:2(9Z,12Z))	HMDB0010575	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	52927246	_
pos_16	Rosmarinic acid	HMDB0003572	Organic compounds	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	5281792	20283-92-5
pos_1601	Prostaglandin E1	HMDB0001442	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	5280723	745-65-3
pos_1604	PS(20:3(8Z,11Z,14Z)/18:0)	HMDB0012422	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	52925710	_
pos_1608	3-Methyl-2-cyclohexen-1-one	HMDB0031541	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	14511	1193-18-6
pos_1616	DG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	HMDB0007027	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53477962	_
pos_1619	LysoPC(20:0)	HMDB0010390	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	24779473	108341-80-6
pos_1622	Dimethylamphetamine	HMDB0041880	Organic compounds	Benzenoids	Benzene and substituted derivatives	Phenethylamines	20006	4075-96-1
pos_1630	PE(14:1(9Z)/22:1(13Z))	HMDB0008875	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479566	_
pos_1640	Curdione	HMDB0034714	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	5362828	13657-68-6
pos_1650	Laurotetanine	HMDB0030220	Organic compounds	Alkaloids and derivatives	Aporphines	_	267400	128-76-7
pos_1652	(7Z,10Z,13Z,16Z)-docosatetraenoate	HMDB0002226	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5497181	28874-58-0
pos_1658	Serratol	HMDB0039827	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	101618281	67814-27-1
pos_1661	PGP(16:1(9Z)/18:2(9Z,12Z))	HMDB0013492	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	53481812	_
pos_1662	Linoleoyl ethanolamide	HMDB0013624	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	5283449	_
pos_1664	PC(15:0/15:0)	HMDB0007934	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	24778654	_
pos_1668	LysoPE(0:0/20:0)	HMDB0011481	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480930	_
pos_1674	(3S)-3,6-Diaminohexanoate	HMDB0012114	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	439417	4299-56-3
pos_1675	3-Sulfinato-L-alaninate	HMDB0000996	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	1549098	1115-65-7
pos_1678	Retinyl beta-glucuronide	HMDB0010340	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	6440956	_
pos_1684	PC(14:1(9Z)/22:1(13Z))	HMDB0007920	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53478629	_
pos_1687	Safflomin A	HMDB0040677	Organic compounds	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	_	146087-19-6
pos_1696	Alanyl-Glutamine	HMDB0028685	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	123935	39537-23-0
pos_1699	Vaporole	HMDB0001382	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Organic nitroso compounds	8053	110-46-3
pos_1705	11,14,17-Eicosatrienoic acid	HMDB0060039	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5312529	17046-59-2
pos_1709	SM(d18:1/18:1(11Z))	HMDB0012100	Organic compounds	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	53481366	_
pos_1711	DG(14:0/22:1(13Z)/0:0)	HMDB0007029	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53477964	_
pos_1713	Eicosapentaenoyl Ethanolamide	HMDB0013649	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	5283450	109001-03-8
pos_1716	PE(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0009043	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479641	_
pos_1717	2-Isopropylmalic acid	HMDB0000402	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5280523	49601-06-1
pos_172	N-Methyl-2-pyrrolidinone	HMDB0002039	Organic compounds	Organoheterocyclic compounds	Pyrrolidines	Pyrrolidones	12025	616-45-5
pos_1720	N-arachidonoylglycinate	HMDB0005096	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	5283389	179113-91-8
pos_1723	4-cholesten-7α,12α,24-triol-3-one	HMDB0062399	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	24755588	_
pos_1729	hydroxyitraconazole	HMDB0061035	Organic compounds	Organoheterocyclic compounds	Diazinanes	Piperazines	108222	_
pos_173	5,7,4'-TRIMETHOXYFLAVONE	HMDB0030842	Organic compounds	Phenylpropanoids and polyketides	oids	O-methylated flavonoids	79730	5631-70-9
pos_1737	PE(20:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0009241	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479711	_
pos_1740	Thiamine monophosphate	HMDB0002666	Organic compounds	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	1131	495-23-8
pos_1750	Bifonazole	HMDB0015583	Organic compounds	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	2378	60628-96-8
pos_1751	Levonorgestrel	HMDB0014511	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids	13109	797-63-7
pos_1752	Alpha-Tocotrienol	HMDB0006327	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	5282347	58864-81-6
pos_1763	Maysin	HMDB0037419	Organic compounds	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	194340	70255-49-1
pos_1790	DG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/0:0)	HMDB0007465	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478260	_
pos_1795	PI(16:0/16:1(9Z))	HMDB0009779	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	_	_
pos_1799	Arjunolic acid	HMDB0034502	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	5320146	465-00-9
pos_1800	LysoSM(d18:0)	HMDB0012082	Organic compounds	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	44260122	_
pos_1806	PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	HMDB0008684	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53479331	_
pos_1819	PS(14:0/18:3(9Z,12Z,15Z))	HMDB0012337	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	52926033	_
pos_1831	Cycloalliin	HMDB0029417	Organic compounds	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	3549960	455-41-4
pos_1832	TG(20:0/a-13:0/8:0)	HMDB0062962	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131770637	_
pos_1833	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008682	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53479327	_
pos_1835	Calcidiol	HMDB0003550	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	5283731	19356-17-3
pos_1836	Achyranthoside C	HMDB0031024	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	78172884	168111-48-6
pos_1842	Sinigrin	HMDB0034070	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	6911854	534-69-0
pos_1844	Vitamin K1	HMDB0003555	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	5284607	84-80-0
pos_1857	DG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/0:0)	HMDB0007349	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478178	_
pos_1861	DG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/0:0)	HMDB0007522	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543910	_
pos_1865	PC(18:1(9Z)/18:1(9Z))	HMDB0000593	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	10350317	4235-95-4
pos_1874	Sulfametopyrazine	HMDB0014802	Organic compounds	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	9047	152-47-6
pos_1876	PGP(16:0/18:1(11Z))	HMDB0013475	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	9547136	_
pos_1881	Cryptochrome	HMDB0029857	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Tetraterpenoids	131750919	73745-06-9
pos_1889	14,17-epoxy-15-methyldocosa-14,16-dienoic acid	HMDB0061648	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	71443943	57818-42-5
pos_1891	PC(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0008088	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53478751	_
pos_1896	Glycyl-glycine	HMDB0011733	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	11163	556-50-3
pos_1898	PS(18:0/20:0)	HMDB0010164	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	52926069	_
pos_19	Cellobiose	HMDB0000055	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	10712	528-50-7
pos_1902	Hygromycin B	HMDB0034229	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	3659	31282-04-9
pos_1904	Linoleic acid	HMDB0006270	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	5282457	506-21-8
pos_1913	Nummularine B	HMDB0029334	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	_	53947-96-9
pos_1921	Corchoionoside B	HMDB0030975	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	131751110	189344-54-5
pos_1924	Tyrosyl-Hydroxyproline	HMDB0029106	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	69040603	936346-34-8
pos_1926	PG(16:1(9Z)/18:1(9Z))	HMDB0010589	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	52927167	_
pos_1927	Glutamyl-Lysine	HMDB0004207	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	7015704	5891-53-2
pos_1931	DG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	HMDB0007293	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478135	_
pos_1934	PC(20:3(5Z,8Z,11Z)/24:0)	HMDB0008388	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53478997	_
pos_1941	Argininic acid	HMDB0003148	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	160437	157-07-3
pos_1949	1-Palmitoylglycerophosphoinositol	HMDB0061695	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	_	1425501-12-7
pos_1963	PE(14:0/18:3(6Z,9Z,12Z))	HMDB0008830	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924117	_
pos_1965	Nephritogenoside	HMDB0041948	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	121932	81276-22-4
pos_1966	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0054836	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131765386	_
pos_1972	Asparaginyl-Glutamine	HMDB0028729	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	446922	14608-83-4
pos_1979	DG(20:2n6/0:0/18:3n3)	HMDB0056315	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	131802014	_
pos_1986	Dihydrobiopterin	HMDB0000038	Organic compounds	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	119055	6779-87-9
pos_199	alpha-curcumene	HMDB0061838	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	442360	4176-17-4
pos_1990	LysoPE(0:0/20:1(11Z))	HMDB0011482	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480931	_
pos_1993	PE(22:4(7Z,10Z,13Z,16Z)/24:0)	HMDB0009606	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479903	_
pos_1998	DG(20:0/0:0/18:2n6)	HMDB0056073	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	131801787	_
pos_2	Betaine	HMDB0000043	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	248	6915-17-9
pos_2000	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0051831	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131762529	_
pos_2004	N-Alpha-acetyllysine	HMDB0000446	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	92907	1946-82-3
pos_2010	Epilubimin	HMDB0035032	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	3504626	64024-09-5
pos_2012	Asparaginyl-Cysteine	HMDB0028728	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	54338059	71190-89-1
pos_2013	Kelampayoside A	HMDB0038714	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	10552637	87562-76-3
pos_2019	Chinenoside III	HMDB0041343	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	131753113	172519-52-7
pos_2028	Dihydrozeatin	HMDB0012215	Organic compounds	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	439631	14742-97-3
pos_203	Malvidin	HMDB0131420	Organic compounds	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids	69512	_
pos_2035	PE(14:1(9Z)/22:2(13Z,16Z))	HMDB0008876	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924154	_
pos_2048	Phenylacetaldehyde	HMDB0041610	Organic compounds	Benzenoids	Benzene and substituted derivatives	_	80584	6314-97-2
pos_2054	Desmosterol	HMDB0002719	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	439577	313-04-2
pos_2067	PGP(18:0/20:3(5Z,8Z,11Z))	HMDB0013510	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	53481828	_
pos_2068	DG(14:0/0:0/20:2n6)	HMDB0055969	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	131801701	_
pos_2085	Asitrilobin D	HMDB0035389	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	131751736	_
pos_2087	DIBOA-Glc	HMDB0033734	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	58114415	155835-54-4
pos_2096	Austdiol	HMDB0030858	Organic compounds	Organoheterocyclic compounds	Azaphilones	_	3520232	53043-28-0
pos_21	Acetoin	HMDB0003243	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	179	513-86-0
pos_2108	PC(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	HMDB0008481	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53479101	_
pos_2116	Garcimangosone D	HMDB0038066	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	85362951	_
pos_2118	Serinyl-Tyrosine	HMDB0029051	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	7021865	21435-27-8
pos_2119	PS(14:0/14:0)	HMDB0012330	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	123699	_
pos_2127	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0054845	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131765395	_
pos_2136	Ornithokinin	HMDB0038224	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	3082051	14042-92-3
pos_2138	PS(16:0/18:1(9Z))	HMDB0012357	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	5283499	_
pos_2142	3-carboxy-4-methyl-5-propyl-2-furanpropanoate	HMDB0061112	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	123979	86879-39-2
pos_2151	PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0008840	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924938	_
pos_2154	DG(14:0/0:0/18:2n6)	HMDB0055967	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	131801699	_
pos_2158	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	HMDB0009707	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479982	_
pos_2159	PE(P-16:0/15:0)	HMDB0011337	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52925044	_
pos_2162	2,5-Dimethylpyrazine	HMDB0035248	Organic compounds	Organoheterocyclic compounds	Diazines	Pyrazines	7938	108-50-9
pos_2166	Prostaglandin A2	HMDB0002752	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	5280880	13345-50-1
pos_2169	Sapiol	HMDB0033177	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	185639	28484-70-0
pos_2182	5-Methylcytidine	HMDB0000982	Organic compounds	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	_	92918	2140-61-6
pos_2195	PG(18:0/18:0)	HMDB0010602	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	24779552	_
pos_22	6-pentadecyl Salicylic Acid	HMDB0031059	Organic compounds	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	5388781	103904-73-0
pos_220	Retinaldehyde	HMDB0002152	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Retinoids	5280490	564-87-4
pos_2204	Diethanolamine	HMDB0004437	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	8113	111-42-2
pos_2205	N-Methylnicotinium	HMDB0001009	Organic compounds	Organoheterocyclic compounds	Pyridines and derivatives	Pyrrolidinylpyridines	430	24554-05-0
pos_2206	PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	HMDB0009212	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479704	_
pos_2218	Bilirubin diglucuronide	HMDB0003325	Organic compounds	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	5280817	17459-92-6
pos_2219	LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0011494	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480943	_
pos_2224	DG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007178	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543870	_
pos_2229	PIP(16:0/22:4(10Z,13Z,16Z,19Z))	HMDB0009922	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositol phosphates	131750480	_
pos_2233	L-gamma-glutamyl-L-leucine	HMDB0011171	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	151023	2566-39-4
pos_2236	DG(18:0/0:0/20:4n6)	HMDB0056052	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	117992833	_
pos_2258	Isopentenyladenine-9-N-glucoside	HMDB0012240	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	11675006	83087-94-9
pos_2262	TG(24:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0047165	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131758008	_
pos_2263	LysoPC(20:2(11Z,14Z))	HMDB0010392	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	52924053	_
pos_2268	12b-Hydroxy-5b-cholanoic acid	HMDB0002431	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	5283812	15173-23-6
pos_2274	N-Acetylornithine	HMDB0240589	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	193343	2185-16-2
pos_2277	TG(15:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)	HMDB0043684	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	131754804	_
pos_2279	Hydrocinnamic acid	HMDB0000764	Organic compounds	Phenylpropanoids and polyketides	Phenylpropanoic acids	_	107	501-52-0
pos_2288	PE(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0009764	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480036	_
pos_2292	DG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	HMDB0007264	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478109	_
pos_2305	PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009243	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924877	_
pos_2308	Bassic acid	HMDB0034526	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	3698770	465-01-0
pos_2310	Arginyl-Hydroxyproline	HMDB0028710	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	69045664	182002-02-4
pos_2314	Capsiate	HMDB0034781	Organic compounds	Benzenoids	Phenols	Methoxyphenols	9873754	_
pos_2316	1'-O-Acetylpaxilline	HMDB0037530	Organic compounds	Organoheterocyclic compounds	Naphthopyrans	_	3081700	121998-08-1
pos_2321	Rebaudioside A	HMDB0034950	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	6918840	58543-16-1
pos_2322	Sumiki's acid	HMDB0002432	Organic compounds	Organoheterocyclic compounds	Furans	Furoic acid and derivatives	80642	6338-41-6
pos_2323	Polymyxin B Sulfate	HMDB0014919	Organic compounds	Organic Polymers	Polypeptides	_	5702105	1405-20-5
pos_2338	10,13-epoxy-11,12-dimethyloctadeca-10,12-dienoic acid	HMDB0061645	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	13963865	57818-40-3
pos_2341	PE(15:0/16:1(9Z))	HMDB0008891	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924932	_
pos_2351	DG(18:1(11Z)/24:0/0:0)	HMDB0007209	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478084	_
pos_2356	DG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	HMDB0007147	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543814	_
pos_2363	Lacto-N-biose I	HMDB0006575	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	5288905	50787-09-2
pos_2364	Allixin	HMDB0040705	Organic compounds	Organoheterocyclic compounds	Pyrans	Pyranones and derivatives	86374	125263-70-9
pos_2369	DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007642	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543958	_
pos_2372	Pelargonic acid	HMDB0000847	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	8158	112-05-0
pos_2379	3-Methylcyclohexanol	HMDB0031538	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	11566	591-23-1
pos_2382	MG(18:0e/0:0/0:0)	HMDB0011143	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	10860876	_
pos_2385	Artobiloxanthone	HMDB0034021	Organic compounds	Benzenoids	Benzene and substituted derivatives	Phenylpropanes	12570	121748-25-2
pos_2389	Aframodial	HMDB0036806	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	131752056	71641-23-1
pos_2409	CDP-glucose	HMDB0003369	Organic compounds	Nucleosides, nucleotides, and analogues	Pyrimidine nucleotides	Pyrimidine nucleotide sugars	439244	2906-23-2
pos_2419	TG(10:0/10:0/8:0)	HMDB0071580	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	73416180	_
pos_2425	DG(18:0/18:3(9Z,12Z,15Z)/0:0)	HMDB0007163	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	9543723	_
pos_2432	LysoPE(0:0/24:1(15Z))	HMDB0011498	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480947	_
pos_2438	Acetyl tributyl citrate	HMDB0034159	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Tetracarboxylic acids and derivatives	6505	77-90-7
pos_2445	Muricoreacin	HMDB0032086	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	10258454	_
pos_2447	Glutaminyl-Proline	HMDB0028805	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	11736661	139370-58-4
pos_2458	LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))	HMDB0011499	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480948	_
pos_2459	DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007701	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543969	_
pos_2466	Delta-Tocopherol	HMDB0002902	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	92094	119-13-1
pos_2474	1,3-Butadiene	HMDB0041792	Organic compounds	Hydrocarbons	Unsaturated hydrocarbons	Olefins	7845	106-99-0
pos_2480	DG(18:2n6/0:0/22:4n6)	HMDB0056288	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	131801988	_
pos_2481	5alpha-Androst-16-en-3-one	HMDB0034406	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	6852393	18339-16-7
pos_2484	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0053215	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131763865	_
pos_2485	LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))	HMDB0011493	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480942	_
pos_2487	Orciprenaline-3-O-sulfate	HMDB0060609	Organic compounds	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates	145888	_
pos_2491	6-Hydroxyhexanoic acid	HMDB0012843	Organic compounds	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	14490	1191-25-9
pos_2493	Aflatoxin B2	HMDB0035208	Organic compounds	Phenylpropanoids and polyketides	Coumarins and derivatives	Furanocoumarins	23648	7220-81-7
pos_250	DG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0)	HMDB0007308	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	9543745	_
pos_2506	Kentsin	HMDB0005776	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	171541	56767-30-7
pos_2507	PC(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	HMDB0008447	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53479039	_
pos_251	Melanostatin	HMDB0005764	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	92910	9083-38-9
pos_2514	PI(18:1(11Z)/18:1(11Z))	HMDB0009824	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	_	_
pos_2531	Cellulose, microcrystalline	HMDB0032197	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	14055602	9004-34-6
pos_2536	Dexfenfluramine	HMDB0015322	Organic compounds	Benzenoids	Benzene and substituted derivatives	Phenethylamines	66265	3239-44-9
pos_2538	SM(d18:1/24:0)	HMDB0011697	Organic compounds	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	44260127	60037-60-7
pos_2539	Mangostenol	HMDB0039912	Organic compounds	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans	5495927	437711-43-8
pos_2541	Histidinal	HMDB0012234	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	152657	23784-15-8
pos_2545	Pipermethystine	HMDB0033486	Organic compounds	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines	194391	71627-22-0
pos_2557	TG(8:0/10:0/i-16:0)	HMDB0071364	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131778170	_
pos_2559	PE(14:0/14:0)	HMDB0008821	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	9852308	998-07-2
pos_2560	DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007207	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478082	_
pos_2561	DG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	HMDB0007438	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478235	_
pos_2568	Ramontoside	HMDB0038929	Organic compounds	Lignans, neolignans and related compounds	Lignan glycosides	_	14825498	133882-75-4
pos_2578	TG(14:1(9Z)/14:1(9Z)/o-18:0)	HMDB0047907	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	131758748	_
pos_2579	DG(20:4(5Z,8Z,11Z,14Z)/14:0/0:0)	HMDB0007501	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478287	_
pos_2588	Citroside A	HMDB0030370	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	14312560	120330-44-1
pos_2590	Progoitrin	HMDB0034071	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	12309644	585-95-5
pos_2599	N-Acetylglutamic acid	HMDB0001138	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	70914	1188-37-0
pos_260	PA(18:3(6Z,9Z,12Z)/16:0)	HMDB0114976	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	52928963	_
pos_2601	NAD	HMDB0001487	Organic compounds	Nucleosides, nucleotides, and analogues	5')-dinucleotides	_	439153	58-68-4
pos_2612	Thiosulfate	HMDB0060293	Inorganic compounds	Homogeneous non-metal compounds	Non-metal oxoanionic compounds	Non-metal thiosulfates	1085	_
pos_2613	LPA(18:0e/0:0)	HMDB0011144	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	10432493	_
pos_2615	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	HMDB0008505	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	52923367	_
pos_2624	DL-2-Aminooctanoic acid	HMDB0000991	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	69522	644-90-6
pos_2628	Oleoylcarnitine	HMDB0005065	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	46907933	38677-66-6
pos_2632	PI(18:2(9Z,12Z)/22:2(13Z,16Z))	HMDB0009856	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	_	_
pos_2635	Spirolide D	HMDB0030493	Organic compounds	Organoheterocyclic compounds	Azepines	_	10699960	170713-73-2
pos_2638	Geranylfarnesyl diphosphate	HMDB0012231	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Polyprenols	5280659	_
pos_2639	PI(16:0/18:0)	HMDB0009781	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	_	182509-29-1
pos_2641	PE(16:1(9Z)/22:0)	HMDB0008973	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924238	_
pos_2649	Chondroitin 4-sulfate	HMDB0000652	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	70678540	24967-93-9
pos_2655	PC(DiMe(9,3)/DiMe(13,5))	HMDB0061419	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	_	_
pos_2656	Scleroglucan	HMDB0029948	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	131750928	39464-87-4
pos_2658	Methylphosphate	HMDB0061711	Organic compounds	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters	13130	812-00-0
pos_2664	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/0:0)	HMDB0007581	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	9543932	_
pos_2670	Rifaximin	HMDB0015351	Organic compounds	Phenylpropanoids and polyketides	Macrolactams	_	46783403	80621-81-4
pos_2679	DG(15:0/18:1(11Z)/0:0)	HMDB0007072	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478004	_
pos_2682	Prostaglandin E3	HMDB0002664	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	5280937	802-31-3
pos_2683	PS(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	HMDB0012416	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	52925527	_
pos_2687	4-Fumarylacetoacetic acid	HMDB0062563	Organic compounds	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives	122	_
pos_2695	DG(15:0/16:1(9Z)/0:0)	HMDB0007070	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478003	_
pos_2703	LysoPE(0:0/20:3(8Z,11Z,14Z))	HMDB0011486	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480935	_
pos_2710	Glycodiazine	HMDB0015461	Organic compounds	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	9565	339-44-6
pos_2716	3,5-Diiodothyronine	HMDB0000582	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	123675	534-51-0
pos_2720	Adenosyl cobyrinic acid a,c diamide	HMDB0060429	Organic compounds	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Corrinoids	_	_
pos_2725	Methyl succinate	HMDB0061879	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	77487	_
pos_2729	Myrcene	HMDB0038169	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	31253	123-35-3
pos_2730	Histamine	HMDB0000870	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	774	51-45-6
pos_2731	2-Dehydro-D-gluconate	HMDB0011732	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	50	91548-32-2
pos_2732	Ethyl butanoate	HMDB0033889	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	7762	105-54-4
pos_2743	PG(16:0/16:1(9Z))	HMDB0010571	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	52927174	_
pos_2744	L-Palmitoylcarnitine	HMDB0000222	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	11953816	2364-67-2
pos_2755	PC(14:0/16:1(9Z))	HMDB0007870	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	24778615	_
pos_2759	L-Acetylcarnitine	HMDB0000201	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	7045767	3040-38-8
pos_276	Dihydrocoumarin	HMDB0036626	Organic compounds	Phenylpropanoids and polyketides	3,4-dihydrocoumarins	_	660	119-84-6
pos_2760	Myristoleic acid	HMDB0002000	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5281119	544-64-9
pos_2769	PC(16:1(9Z)/0:0)	HMDB0010383	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	24779461	76790-27-7
pos_277	Costunolide	HMDB0036688	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	5367559	553-21-9
pos_2785	Raffinose	HMDB0003213	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	439242	512-69-6
pos_2788	2-phenylethanol	HMDB0041615	Organic compounds	Benzenoids	Benzene and substituted derivatives	_	91978	56011-02-0
pos_2792	2'-Deoxycytidine	HMDB0000014	Organic compounds	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides	13711	951-77-9
pos_2794	PE(18:1(11Z)/14:0)	HMDB0009019	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53479618	_
pos_2800	DG(18:0/18:1(9Z)/0:0)	HMDB0007160	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	6443547	_
pos_2801	PS(18:1(9Z)/0:0)	HMDB0240603	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	9547099	89319-60-8
pos_2802	Ubiquinone Q1	HMDB0002012	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	4462	727-81-1
pos_2813	Histidinyl-Cysteine	HMDB0028882	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	15294281	116833-93-3
pos_2816	N6-Methyl-L-lysine	HMDB0002038	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	164795	1188-07-4
pos_2819	Diethyl decanedioate	HMDB0040429	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	8049	110-40-7
pos_2825	1-Aminocyclohexanecarboxylic acid	HMDB0038249	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	89306	2756-56-1
pos_2826	4-Nonylphenol	HMDB0038982	Organic compounds	Benzenoids	Phenols	1-hydroxy-2-unsubstituted benzenoids	1752	104-40-5
pos_2827	Benzoylecgonine	HMDB0041836	Organic compounds	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	442997	519-09-5
pos_2829	Arginyl-Arginine	HMDB0028703	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	151956	15483-27-9
pos_2830	Zearalenone	HMDB0031752	Organic compounds	Phenylpropanoids and polyketides	Macrolides and analogues	Zearalenones	5375083	17924-92-4
pos_2832	Ginsenoside Rg3	HMDB0039546	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	12901617	14197-60-5
pos_2842	13,14-dihydro-15-keto-PGF2alpha	HMDB0004685	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	5283039	27376-76-7
pos_2843	d-Dethiobiotin	HMDB0003581	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	445027	533-48-2
pos_2844	6-Aminocaproic acid	HMDB0001901	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	564	60-32-2
pos_2850	Sinapyl alcohol	HMDB0013070	Organic compounds	Benzenoids	Phenols	Methoxyphenols	5280507	537-33-7
pos_2853	alpha-Tocotrienol	HMDB0006327	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	5282347	58864-81-6
pos_296	Ichthyotherol	HMDB0031270	Organic compounds	Hydrocarbons	Unsaturated hydrocarbons	Unsaturated aliphatic hydrocarbons	31285	124-11-8
pos_298	α-CEHC	HMDB0001518	Organic compounds	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans	9943542	4072-32-6
pos_3	Cholic acid	HMDB0000619	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	221493	81-25-4
pos_300	Stearoylethanolamide	HMDB0013078	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	27902	111-57-9
pos_301	Cycloviolaxanthin	HMDB0038106	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Tetraterpenoids	131752303	136624-30-1
pos_325	Dibutyl sulfide	HMDB0031660	Organic compounds	Organosulfur compounds	Thioethers	Dialkylthioethers	11002	544-40-1
pos_331	PE(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	HMDB0009558	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924788	_
pos_36	Phenol	HMDB0013674	Organic compounds	Benzenoids	Phenols	Benzenetriols and derivatives	1057	87-66-1
pos_363	o-Cymene	HMDB0037050	Organic compounds	Benzenoids	Benzene and substituted derivatives	Cumenes	10703	527-84-4
pos_368	Phthalic acid Mono-2-ethylhexyl Ester	HMDB0013248	Organic compounds	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	20393	4376-20-9
pos_37	1,2-Didecanoyl-sn-glycerol	HMDB0092961	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	162916	_
pos_387	7-Ethoxy-4-methyl-2H-1-benzopyran-2-one	HMDB0035095	Organic compounds	Phenylpropanoids and polyketides	Coumarins and derivatives	_	66595	87-05-8
pos_41	Mesitylene	HMDB0041924	Organic compounds	Benzenoids	Benzene and substituted derivatives	_	7947	108-67-8
pos_423	PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009210	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	52924469	_
pos_431	PPA	HMDB0041989	Organic compounds	Organoheterocyclic compounds	Diazinanes	Piperazines	4831	51940-44-4
pos_446	Idoxanthin	HMDB0040656	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Tetraterpenoids	131752890	97169-13-6
pos_461	Palmitic amide	HMDB0012273	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	69421	629-54-9
pos_462	Stearoylglycine	HMDB0013308	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	95070	_
pos_467	Capsanthin 3,6-epoxide	HMDB0033260	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Tetraterpenoids	131751400	_
pos_472	Heliespirone A	HMDB0031972	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	75231864	202533-71-9
pos_477	N-Glycolylneuraminic acid	HMDB0062502	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	440001	_
pos_481	Tetrahydro-2-furanmethanol	HMDB0031175	Organic compounds	Organoheterocyclic compounds	Tetrahydrofurans	_	7360	97-99-4
pos_492	Phthalic acid	HMDB0002107	Organic compounds	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	1017	88-99-3
pos_495	Vildagliptin	HMDB0015596	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	6918537	274901-16-5
pos_499	Oleic acid	HMDB0062703	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	965	2027-47-6
pos_504	(2E,4E)-2,4-Hexadienoic acid	HMDB0029581	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	643460	110-44-1
pos_514	Alpha-Linolenoyl ethanolamide	HMDB0013624	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	5283449	_
pos_52	Palmitoyl glucuronide	HMDB0010331	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	161223	_
pos_522	Dihomo-linoleate (20:2n6)	HMDB0005060	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	6439848	5598-38-9
pos_527	Gingerglycolipid C	HMDB0041095	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Glycosylglycerols	131753024	35949-86-1
pos_531	5-Methyldeoxycytidine	HMDB0002224	Organic compounds	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides	13279	838-07-3
pos_535	Proline betaine	HMDB0004827	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	115244	471-87-4
pos_536	Glutamyl-Methionine	HMDB0028825	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	6426949	4423-22-7
pos_537	2-(Methylthio)phenol	HMDB0041281	Organic compounds	Organosulfur compounds	Thioethers	Aryl thioethers	61261	1073-29-6
pos_540	Nonadeca-10(Z)-enoic acid	HMDB0013622	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5312513	73033-09-7
pos_542	1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid	HMDB0010343	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	92278491	98649-76-4
pos_543	Acetaminophen glucuronide	HMDB0010316	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	83944	16110-10-4
pos_545	NADPH	HMDB0000221	Organic compounds	Nucleosides, nucleotides, and analogues	5')-dinucleotides	_	5884	53-57-6
pos_549	PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0010614	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	24779554	_
pos_554	Hypogeic acid	HMDB0002186	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5318393	2416-19-5
pos_556	5-Hydroxylysine	HMDB0000450	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	3032849	1190-94-9
pos_560	Dodecanedioic acid	HMDB0000933	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5283028	6402-36-4
pos_562	11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid	HMDB0011652	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	53481012	_
pos_564	5-Hydroxyisourate	HMDB0030097	Organic compounds	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	101957720	151359-24-9
pos_569	Ethyl 2-methylpropanoate	HMDB0031248	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acid derivatives	7342	97-62-1
pos_57	7-dehydrocholesterol	HMDB0000876	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	5280795	67-97-0
pos_574	Oxymesterone	HMDB0006027	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	72061	145-12-0
pos_577	Prostaglandin J2	HMDB0004238	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	5280885	87893-54-7
pos_586	12S-HHT	HMDB0012535	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5283141	54397-84-1
pos_590	Asteltoxin	HMDB0029464	Organic compounds	Organoheterocyclic compounds	Furofurans	_	131750872	79663-49-3
pos_591	19-Hydroxydeoxycorticosterone	HMDB0012612	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	53481497	2394-23-2
pos_592	Frangulanine	HMDB0030199	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	5317388	25350-22-5
pos_593	Glucosamine 6-sulfate	HMDB0000592	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	72361	91674-26-9
pos_594	19-Norandrosterone	HMDB0005886	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids	14009228	33036-33-8
pos_597	Heteroxanthin	HMDB0001991	Organic compounds	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	68374	552-62-5
pos_598	Boswellic acid	HMDB0002388	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	168928	631-69-6
pos_602	2'-Deoxyinosine triphosphate	HMDB0003537	Organic compounds	Nucleosides, nucleotides, and analogues	Purine nucleotides	Purine deoxyribonucleotides	146302	16595-02-1
pos_604	Isobutyryl-L-carnitine	HMDB0000736	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	168379	25518-49-4
pos_606	6-Deoxocastasterone	HMDB0033984	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	13870433	87833-54-3
pos_61	5-Aminoimidazole	HMDB0003929	Organic compounds	Organoheterocyclic compounds	Azoles	Imidazoles	484	4919-03-3
pos_614	Fumaric acid	HMDB0000134	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives	444972	110-17-8
pos_615	N-lactoyl-Leucine	HMDB0062176	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	57329455	210769-82-7
pos_625	Momilactone B	HMDB0036749	Organic compounds	Organoheterocyclic compounds	Naphthopyrans	_	73018629	51415-08-8
pos_627	Cerebronic acid	HMDB0039540	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	102430	544-57-0
pos_633	DG(18:1(11Z)/18:3(6Z,9Z,12Z)/0:0)	HMDB0007191	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	53478066	_
pos_634	Azythromycin	HMDB0014352	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	447043	83905-01-5
pos_638	3-Methyl-2-butenal	HMDB0012157	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	61020	107-86-8
pos_648	2-Hexyl-3-phenyl-2-propenal	HMDB0031736	Organic compounds	Phenylpropanoids and polyketides	Cinnamaldehydes	_	1550884	101-86-0
pos_650	4-Hydroxyproline	HMDB0240251	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	440015	618-27-9
pos_656	O-Desmethylangolensin	HMDB0004629	Organic compounds	Phenylpropanoids and polyketides	Alpha-methyldeoxybenzoin flavonoids	_	89472	21255-69-6
pos_662	All-trans-retinoic acid	HMDB0001852	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Retinoids	444795	302-79-4
pos_664	DG(15:0/20:1(11Z)/0:0)	HMDB0007079	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478008	_
pos_668	N-Methyl-1-deoxynojirimycin	HMDB0035360	Organic compounds	Organoheterocyclic compounds	Piperidines	_	4381	69567-10-8
pos_671	L-Methionine	HMDB0033951	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	876	59-51-8
pos_674	12-Hydroxydodecanoic acid	HMDB0002059	Organic compounds	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	79034	505-95-3
pos_676	Oxamniquine	HMDB0015228	Organic compounds	Organoheterocyclic compounds	Quinolines and derivatives	Nitroquinolines and derivatives	4612	21738-42-1
pos_683	Linamarin	HMDB0005008	Organic compounds	Organoheterocyclic compounds	Benzimidazoles	Sulfinylbenzimidazoles	3883	103577-45-3
pos_687	Ganoderic acid A	HMDB0034931	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	14109402	81907-62-2
pos_69	3-hydroxyadipic acid 3,6-lactone	HMDB0029171	Organic compounds	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	194109	60551-20-4
pos_691	Hydroxyisonobilin	HMDB0034475	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	131751567	_
pos_694	Glucosylsphingosine	HMDB0000596	Organic compounds	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	22833534	52050-17-6
pos_695	Gamma-Linolenic acid	HMDB0003073	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	5280933	506-26-3
pos_701	DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007208	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478083	_
pos_702	CE(18:3(6Z,9Z,12Z))	HMDB0010369	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid esters	53480458	_
pos_705	1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate	HMDB0114759	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	87978475	_
pos_709	5-Aminopentanoic acid	HMDB0003355	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	138	660-88-8
pos_717	2-Hydroxybutyric acid	HMDB0000008	Organic compounds	Organic acids and derivatives	Hydroxy acids and derivatives	Alpha hydroxy acids and derivatives	440864	3347-90-8
pos_718	PC(14:0/18:4(6Z,9Z,12Z,15Z))	HMDB0007877	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	24778627	_
pos_720	Zedoarondiol	HMDB0036448	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	14632997	98644-24-7
pos_722	Eicosenoic acid	HMDB0033022	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5282768	135357-25-4
pos_730	CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0006733	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid esters	53477890	70110-50-8
pos_733	Valyl-Serine	HMDB0029136	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	6992639	13588-94-8
pos_743	Crustecdysone	HMDB0030180	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	5459840	5289-74-7
pos_752	3-Methoxy-4-hydroxyphenylglycol glucuronide	HMDB0000496	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	22833525	52002-41-2
pos_755	Undecylenic acid	HMDB0033724	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	5634	112-38-9
pos_759	5-L-Glutamyl-L-alanine	HMDB0006248	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	440103	5875-41-2
pos_761	3,4-Methylenedioxyamphetamine	HMDB0041931	Organic compounds	Organoheterocyclic compounds	Benzodioxoles	_	1614	4764-17-4
pos_763	PC(o-16:0/20:4(8Z,11Z,14Z,17Z))	HMDB0013407	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	53481701	_
pos_764	Mitomycin	HMDB0014450	Organic compounds	Organoheterocyclic compounds	Indoles and derivatives	Indolequinones	5746	50-07-7
pos_766	L-Arginine	HMDB0062762	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	1549073	_
pos_767	N(6)-Methyllysine	HMDB0002038	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	164795	1188-07-4
pos_769	Cucurbitaxanthin A	HMDB0035319	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Tetraterpenoids	131751704	103955-77-7
pos_77	1-Phenyl-1-pentanone	HMDB0031208	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	66093	1009-14-9
pos_770	Valyl-Hydroxyproline	HMDB0029128	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	10242944	90965-79-0
pos_779	Neuroprotectin D1	HMDB0003689	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	16042541	_
pos_78	Chamazulene	HMDB0036470	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	10719	529-05-5
pos_782	Dopamine 4-sulfate	HMDB0004148	Organic compounds	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates	123932	38339-02-5
pos_786	Oleacein	HMDB0037321	Organic compounds	Benzenoids	Phenols	Tyrosols and derivatives	18684078	149183-75-5
pos_788	Cucurbitacin D	HMDB0034695	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cucurbitacins	5353546	3877-86-9
pos_796	DG(14:1(9Z)/22:2(13Z,16Z)/0:0)	HMDB0007059	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53477994	_
pos_799	Diacetone alcohol	HMDB0031511	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	31256	123-42-2
pos_800	DG(18:0/20:4(8Z,11Z,14Z,17Z)/0:0)	HMDB0007171	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478053	_
pos_807	Aldosine	HMDB0037817	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	57357510	142759-11-3
pos_809	Hexadecanedioic acid	HMDB0000712	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	566787	42150-38-9
pos_813	Phytosphingosine	HMDB0004610	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	122121	554-62-1
pos_814	Hemorphin-4	HMDB0059788	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	128444	_
pos_816	Imidazoleacetic acid ribotide	HMDB0006032	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	16019958	2888-19-9
pos_819	Endomorphin-2	HMDB0005774	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	5311081	141801-26-5
pos_825	1-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphate	HMDB0114743	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	131821848	_
pos_827	DG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007063	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53477998	_
pos_829	Blasticidin S	HMDB0030452	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	258	2079-00-7
pos_835	3-Dehydroxycarnitine	HMDB0001161	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	725	407-64-7
pos_840	DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007469	Organic compounds	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	53478264	_
pos_863	trans-1,2-Dihydrobenzene-1,2-diol	HMDB0001164	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	149186	103302-38-1
pos_866	N-Oleoylethanolamine	HMDB0002088	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	5283454	111-58-0
pos_878	7-Ketodeoxycholic acid	HMDB0000391	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	188292	911-40-0
pos_879	Acetylcholine	HMDB0000895	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	187	51-84-3
pos_883	Tsugarioside B	HMDB0035509	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	85202365	267649-97-8
pos_884	Anandamide	HMDB0004080	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	5281969	94421-68-8
pos_889	PI(16:0/20:0)	HMDB0009785	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	_	_
pos_891	Hericenone D	HMDB0039139	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	15658906	137592-04-2
pos_9	Retinoic acid	HMDB0006219	Organic compounds	Lipids and lipid-like molecules	Prenol lipids	Retinoids	5282379	4759-48-2
pos_916	Lysyl-Proline	HMDB0028959	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	171204	52766-27-5
pos_919	4-Hydroxyandrostenedione glucuronide	HMDB0010315	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	443212	_
pos_926	Isoleucyl-Hydroxyproline	HMDB0028908	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	61158802	90965-80-3
pos_929	Fagomine	HMDB0033453	Organic compounds	Organoheterocyclic compounds	Piperidines	_	72259	53185-12-9
pos_932	Falcarindiol	HMDB0033941	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	5317309	55297-87-5
pos_936	Neohesperidin dihydrochalcone	HMDB0030542	Organic compounds	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	4453	20702-77-6
pos_963	Permetin A	HMDB0030527	Organic compounds	Organic acids and derivatives	Peptidomimetics	Depsipeptides	172928	71888-70-5
pos_970	Hydroxydestruxin B	HMDB0040135	Organic compounds	Organic acids and derivatives	Peptidomimetics	Depsipeptides	85220065	_
pos_976	Nonoxynol-9	HMDB0015680	Organic compounds	Organic oxygen compounds	Organooxygen compounds	Ethers	72385	26571-11-9
pos_978	LysoPE(0:0/20:2(11Z,14Z))	HMDB0011483	Organic compounds	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	53480932	_
pos_980	N-Carbamoylputrescine	HMDB0033458	Organic compounds	Organic acids and derivatives	Carboximidic acids and derivatives	Carboximidic acids	502	6851-51-0
pos_982	Histidinyl-Lysine	HMDB0028890	Organic compounds	Benzenoids	Phenol ethers	Anisoles	148224	37700-85-9
pos_994	Ponasteroside A	HMDB0034091	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	12314455	20117-33-3
pos_999	Tryptophyl-Proline	HMDB0029091	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	14409732	_