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1,4,6-Trigalloyl-beta-D-glucopyranose

Properties

Image

Occurences in reactions

MNX_ID

MNXM115759

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

formula

C₂₇H₂₄O₁₈

charge

mass

636.09626

reference

hmdb:HMDB0039185

InChIKey

SUAXOYITDJNGFM-UHFFFAOYSA-N

InChI

InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-23(44-25(40)9-3-13(30)19(35)14(31)4-9)21(37)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2

SMILES

O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OC(=O)c1cc(O)c(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:HMDB0039185	1,4,6-Trigalloyl-beta-D-glucopyranose 1,4,6-Tri-O-galloyl-beta-D-glucose 1,4,6-Trigalloyl-b-D-glucopyranose 4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate [4,5-Dihydroxy-3,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid
hmdb:HMDB39185	secondary/obsolete/fantasy identifier