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(-)-gallocatechin gallate

Properties

Image

Occurences in reactions

MNX_ID

MNXM148562

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₂H₁₈O₁₁

charge

mass

458.08491

reference

chebi:156271

InChIKey

WMBWREPUVVBILR-NQIIRXRSSA-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:156271 chebi:156271	(-)-gallocatechin gallate (-)-gallocatechin-3-O-gallate (-)-gallocatechol gallate (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate) (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
seed.compound:cpd33824 seedM:cpd33824	(-)-gallocatechin gallate (-)-gallocatechin-3-O-gallate (-)-gallocatechol gallate
metacyc.compound:CPD-16531 metacycM:CPD-16531	(-)-gallocatechin-3-O-gallate (-)-gallocatechin gallate (-)-gallocatechol gallate
chebi:95002 seedM:M_cpd33824	secondary/obsolete/fantasy identifier