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(+)-gallocatechin

Properties

Image

Occurences in reactions

MNX_ID

MNXM114386

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₅H₁₄O₇

charge

mass

306.07395

reference

InChIKey

XMOCLSLCDHWDHP-SWLSCSKDSA-N

InChI

InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1

SMILES

Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31018 chebi:31018	(+)-gallocatechin (+)-gallocatechol (2R,3S)-(+)-gallocatechin (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (2R,3S)-flavan-3,3',4',5,5',7-hexol (2R,3S)-flavan-3,5,7,3',4',5'-hexol (2R,3S)-gallocatechin gallocatechin
lipidmaps:LMPK12020002 lipidmapsM:LMPK12020002	(+)-Gallocatechin
hmdb:HMDB0038365	(+)-Gallocatechin (+)-Gallocatechol (+)-gallocatechin (+)-trans-3,3',4',5,5',7-Hexahydroxyflavan (2R,3S)-(+)-Gallocatechin (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,3S)-Flavan-3,3',4',5,5',7-hexol (2R,3S)-Flavan-3,5,7,3',4',5'-hexol (2R,3S)-Gallocatechin Casuarin D-Gallocatechin Epigallocatechin Epigallocatechol Gallocatechin Gallocatechol Gallocatechol, (2R-cis)-isomer Gallocatechol, (2R-trans)-isomer Gallocatechol, (2S-trans)-isomer
seed.compound:cpd08909 seedM:cpd08909	(+)-Gallocatechin (+)-gallocatechin (+)-gallocatechol Gallocatechol gallocatechin gallocatechol
kegg.compound:C12127 keggC:C12127	(+)-Gallocatechin Gallocatechol
metacyc.compound:CPD-10358 metacycM:CPD-10358	(+)-gallocatechin (+)-gallocatechol
CHEBI:68330 chebi:68330	gallocatechin (2R,3S)- 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Gallocatechol gallocatechol rel-(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
hmdb:HMDB38365 keggC:M_C12127 seedM:M_cpd08909	secondary/obsolete/fantasy identifier