MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(+)-epicatechin

MNXM728107 is deprecated and here replaced by MNXM1371116
!!! Alternative mappings exist !!!

	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	OC1=CC2=C(C[C@H](O)[C@H](C3=CC(O)=C(O)C=C3)O2)C(O)=C1

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)	[CH:1]1=[CH:2][C:10]([OH:17])=[C:12]([OH:19])[CH:3]=[C:7]1[C@H:15]1[C@@H:13]([OH:20])[CH2:6][C:9]2=[C:11]([OH:18])[CH:4]=[C:8]([OH:16])[CH:5]=[C:14]2[O:21]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