**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

(+)-epicatechin

Properties Image MNX_ID MNXM1371116 reference chebi:76125 formula C15H14O6 global charge 0 mol weight 290.271 InChIKey PFTAWBLQPZVEMU-ZFWWWQNUSA-N InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 SMILES Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2 MNX internals InChI (mnx) InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 SMILES (mnx) [CH2:1]1[c:2]2[c:3]([c:8]([OH:18])[cH:11][c:14]([OH:20])[cH:10]2)[CH2:6][C@@H:4]([CH3:7])[C@H:5]1[C:9]1=[CH:12][C:13]([OH:19])=[C:15]([OH:21])[O:17]=[O:16]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:76125 chebi:76125 PFTAWBLQPZVEMU-ZFWWWQNUSA-N	(+)-epicatechin (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol (2S,3S)-3,3',4',5,7-pentahydroxyflavan ent-Epicatechin
hmdb:HMDB0037954 PFTAWBLQPZVEMU-ZFWWWQNUSA-N	(+)-Epicatechin (+)-Epicatechol (+)-cis-3,3',4',5,7-Pentahydroxyflavan (2S,3S)-(+)-Epicatechin (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2S,3S)-3',4',5,7-Tetrahydroxyflavan-3-ol (2S,3S)-3,3',4',5,7-Pentahydroxyflavan (2S-cis)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol Catechin C D-Epicatechin ent-Epicatechin l-epicatechin
kegg.compound:C09728 keggC:C09728 PFTAWBLQPZVEMU-ZFWWWQNUSA-N	(+)-Epicatechin ent-Epicatechin
metacyc.compound:CPD-19100 metacycM:CPD-19100 PFTAWBLQPZVEMU-ZFWWWQNUSA-N	(+)-epicatechin (2S,3S)-epicatechin
seed.compound:cpd06620 seedM:cpd06620 PFTAWBLQPZVEMU-ZFWWWQNUSA-N	ent-Epicatechin (+)-Epicatechin (+)-epicatechin (2S,3S)-epicatechin
hmdb:HMDB37954 keggC:M_C09728 seedM:M_cpd06620	secondary/obsolete/fantasy identifier