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

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afzelechin

MNXM8259 is deprecated and here replaced by MNXM740627
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM740627
reference	chebi:2507
formula	C₁₅H₁₄O₅
global charge	0
mol weight	274.272
InChIKey	RSYUFYQTACJFML-DZGCQCFKSA-N
InChI	InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15+/m0/s1
SMILES	OC1=CC=C([C@H]2OC3=C(C[C@@H]2O)C(O)=CC(O)=C3)C=C1

MNX internals

InChI (mnx)	InChI=1/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15+/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:9]([OH:16])=[CH:4][CH:2]=[C:8]1[C@@H:15]1[C@@H:13]([OH:19])[CH2:7][C:11]2=[C:12]([OH:18])[CH:5]=[C:10]([OH:17])[CH:6]=[C:14]2[O:20]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2507 chebi:2507 RSYUFYQTACJFML-DZGCQCFKSA-N	afzelechin (+)-afzelechin (2R,3S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 3,5,7,4'-Tetrahydroxyflavan
metacyc.compound:CPD-1962 metacycM:CPD-1962 RSYUFYQTACJFML-DZGCQCFKSA-N	(+)-afzelechin (2R,3S)-afzelechin
seed.compound:cpd06215 seedM:cpd06215 RSYUFYQTACJFML-DZGCQCFKSA-N	Afzelechin (+)-afzelechin (2R,3S)-afzelechin 3,5,7,4'-Tetrahydroxyflavan 3,5,7,4'-tetrahydroxyflavan afzelechin
kegg.compound:C09320 keggC:C09320 RSYUFYQTACJFML-DZGCQCFKSA-N	Afzelechin 3,5,7,4'-Tetrahydroxyflavan
lipidmaps:LMPK12020035 lipidmapsM:LMPK12020035 RSYUFYQTACJFML-DZGCQCFKSA-N	Afzelechin [2R,3S,(+)]-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
keggC:M_C09320 seedM:M_cpd06215	secondary/obsolete/fantasy identifier