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Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM127951

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

formula

C₂₈H₂₆O₁₈

charge

mass

650.11191

reference

hmdb:HMDB0039183

InChIKey

DXMITXYQZDSXOV-UHFFFAOYSA-N

InChI

InChI=1S/C28H26O18/c1-42-28-22(38)24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3

SMILES

COC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=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
hmdb:HMDB0039183	Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside Methyl 3,4,6-tri-O-galloyl-b-D-glucopyranoside [5-Hydroxy-6-methoxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid [5-hydroxy-6-methoxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
hmdb:HMDB39183	secondary/obsolete/fantasy identifier