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(-)-epigallocatechin 3-gallate

Properties

Image

Occurences in reactions

MNX_ID

MNXM30289

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

formula

C₂₂H₁₈O₁₁

charge

mass

458.08491

reference

chebi:4806

InChIKey

WMBWREPUVVBILR-WIYYLYMNSA-N

InChI

InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1

SMILES

O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4806 chebi:4806	(-)-epigallocatechin 3-gallate (-)-epigallocatechin-3-O-gallate (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate EGCG Epigallocatechin 3-gallate [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
metacyc.compound:CPD-15291 metacycM:CPD-15291	(-)-epigallocatechin-3-O-gallate (-)-epigallocatechin 3-gallate [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
kegg.compound:C09731 keggC:C09731 lipidmaps:LMPK12030005 lipidmapsM:LMPK12030005	Epigallocatechin 3-gallate
seed.compound:cpd06623 seedM:cpd06623	Epigallocatechin 3-gallate (-)-epigallocatechin 3-gallate (-)-epigallocatechin gallate (-)-epigallocatechin-3-O-gallate [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate epigallocatechin3gallate
hmdb:HMDB0003153	Epigallocatechin gallate (-)-Epigallocatechin gallat (-)-Epigallocatechin gallate (-)-Epigallocatechin-3-O-gallate (-)-Epigallocatechin-3-O-gallic acid (-)-Epigallocatechol gallate (-)-Epigallocatehin gallate (-)-epigallocatechin gallate (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate Catechin deriv. EGCG EGCG CPD Epigallo-catechin gallate Epigallocatcchin gallate Epigallocate Epigallocatechin 3-gallate Epigallocatechin 3-gallic acid Epigallocatechin gallic acid Epigallocatechin-3-O-gallate Epigallocatechin-3-gallate Epigallocic acid Galloyl-L-epigallocatechol Sunphenon Tea catechin [(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate [(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoic acid
hmdb:HMDB03153 keggC:M_C09731 seedM:M_cpd06623	secondary/obsolete/fantasy identifier