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3'-(2''-Galloylglucosyl)-phloroacetophenone

Properties

Image

Occurences in reactions

MNX_ID

MNXM117151

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

formula

C₂₁H₂₂O₁₃

charge

mass

482.10604

reference

chebi:168634

InChIKey

ABXKUABLJLHDAO-UHFFFAOYSA-N

InChI

InChI=1S/C21H22O13/c1-6(23)13-8(24)4-9(25)14(17(13)30)19-20(18(31)16(29)12(5-22)33-19)34-21(32)7-2-10(26)15(28)11(27)3-7/h2-4,12,16,18-20,22,24-31H,5H2,1H3

SMILES

CC(=O)c1c(O)cc(O)c(C2OC(CO)C(O)C(O)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:168634 chebi:168634	3'-(2''-Galloylglucosyl)-phloroacetophenone [2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
hmdb:HMDB0040622	3'-(2''-Galloylglucosyl)-phloroacetophenone 2-(3-Acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoic acid 2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
hmdb:HMDB40622	secondary/obsolete/fantasy identifier