Feedback

3-Galloylcatechin

Properties

Image

Occurences in reactions

MNX_ID

MNXM117427

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

formula

C₂₂H₁₈O₁₀

charge

mass

442.09

reference

InChIKey

LSHVYAFMTMFKBA-UHFFFAOYSA-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

SMILES

O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(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
hmdb:HMDB0030661	3-Galloylcatechin 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate Catechin 3-O-gallate Catechin 3-gallic acid Catechin gallate Epicatechin gallate Epicatechin gallate, (2R-cis)-isomer Epicatechin-3-O-gallate Epicatechin-3-gallate Epicatechin-3-galloyl ester epicatechin gallate
hmdb:HMDB30661	secondary/obsolete/fantasy identifier