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3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone

Properties

Image

Occurences in reactions

MNX_ID

MNXM117147

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

formula

C₄₂H₃₄O₂₅

charge

mass

938.13892

reference

chebi:169211

InChIKey

GAJWEROGFQRXSF-UHFFFAOYSA-N

InChI

InChI=1S/C42H34O25/c1-12(43)28-17(44)10-18(45)29(34(28)58)36-38(67-42(62)16-8-25(52)33(57)26(53)9-16)37(66-41(61)15-6-23(50)32(56)24(51)7-15)35(65-40(60)14-4-21(48)31(55)22(49)5-14)27(64-36)11-63-39(59)13-2-19(46)30(54)20(47)3-13/h2-10,27,35-38,44-58H,11H2,1H3

SMILES

CC(=O)c1c(O)cc(O)c(C2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3)C2OC(=O)c2cc(O)c(O)c(O)c2)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169211 chebi:169211	3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
hmdb:HMDB0040627	3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone [6-(3-Acetyl-2,4,6-trihydroxyphenyl)-3,4,5-tris(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-tris(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
hmdb:HMDB40627	secondary/obsolete/fantasy identifier