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catechin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1376421

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₁₅H₁₄O₆

charge

mass

290.271

reference

InChIKey

PFTAWBLQPZVEMU-UHFFFAOYSA-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

SMILES

[cH:1]1[cH:2][c:10]([OH:17])[c:12]([OH:19])[cH:3][c:7]1[CH:15]1[CH: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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:23053 chebi:23053	catechin (+/-)-Catechin catechins
metacyc.compound:CPD-1961 metacycM:CPD-1961	(+)-catechin (2R,3S)-catechin 2,3-trans-catechin cianidanol
metacyc.compound:CPD-19100 metacycM:CPD-19100	(+)-epicatechin (2S,3S)-epicatechin
metacyc.compound:CPD-19097 metacycM:CPD-19097	(-)-catechin (2S,3R)-catechin
metacyc.compound:CPD-7630 metacycM:CPD-7630	(-)-epicatechin 2,3-cis-epicatechin epicatechin
seed.compound:cpd19247 seedM:cpd19247 kegg.compound:C17590 keggC:C17590	Catechin (+/-)-Catechin
keggC:M_C17590 seedM:M_cpd19247	secondary/obsolete/fantasy identifier