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1,2,3,6-tetrakis-O-galloyl-beta-D-glucose

Properties

Image

Occurences in reactions

MNX_ID

MNXM3772

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₃₄H₂₈O₂₂

charge

mass

788.10722

reference

chebi:17527

InChIKey

RATQVALKDAUZBW-XPMKZLBQSA-N

InChI

InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1

SMILES

O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17527 chebi:17527	1,2,3,6-tetrakis-O-galloyl-beta-D-glucose 1,2,3,6-Tetra-O-galloyl-beta-D-glucose 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose 1,2,3,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
kegg.compound:C04516 keggC:C04516	1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose 1,2,3,6-Tetra-O-galloyl-beta-D-glucose
seed.compound:cpd02748 seedM:cpd02748	1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose 1,2,3,6-Tetra-O-galloyl-beta-D-glucose 1,2,3,6-tetra-O-gallose-beta-D-glucopyranose 1,2,3,6-tetrakis-O-galloyl-beta-D-glucose
metacyc.compound:1236-TETRAKIS-O-GALLOYL-BETA-D-GLUCOS metacycM:1236-TETRAKIS-O-GALLOYL-BETA-D-GLUCOS	1,2,3,6-tetrakis-O-galloyl-beta-D-glucose 1,2,3,6-tetra-O-gallose-beta-D-glucopyranose
chebi:11134 chebi:18858 chebi:481 keggC:M_C04516 seedM:M_cpd02748	secondary/obsolete/fantasy identifier