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(-)-epicatechin-3-O-gallate

Properties

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Occurences in reactions

MNX_ID

MNXM104871

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

formula

C₂₂H₁₈O₁₀

charge

mass

442.09

reference

chebi:70255

InChIKey

LSHVYAFMTMFKBA-TZIWHRDSSA-N

InChI

InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1

SMILES

O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(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:70255 chebi:70255	(-)-epicatechin-3-O-gallate (-)-cis-3,3',4',5,7-pentahydroxyflavane 3-gallate 3-O-galloylepicatechin 3-gallate(-)-epicatechol ECG Teatannin [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
lipidmaps:LMPK12020090 lipidmapsM:LMPK12020090	(-)-Epicatechin 3-O-gallate
hmdb:HMDB0037944	(-)-Epicatechin 3-O-gallate (-)-Epicatechin 3-O-gallic acid (-)-Epicatechin gallate (-)-Epicatechin-3-O-gallate (-)-Epicatechin-3-gallate (-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallate (-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallic acid (-)-epicatechin 3-O-gallate (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 3-Gallate(-)-epicatechol 3-Gallic acid(-)-epicatechol 3-O-Galloylepicatechin ECG Epicatechin 3-gallic acid Epicatechin gallate Epicatechin gallate, (2R-cis)-isomer Epicatechin-3-O-gallate Epicatechin-3-gallate Epicatechin-3-galloyl ester Epicatechol, gallate L-Epicatechin gallate Teatannin
metacyc.compound:CPD-16530 metacycM:CPD-16530 seed.compound:cpd31510 seedM:cpd31510	(-)-epicatechin-3-O-gallate epicatechin-3-galloyl ester
hmdb:HMDB37944 seedM:M_cpd31510	secondary/obsolete/fantasy identifier