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1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose

Properties

Image

Occurences in reactions

MNX_ID

MNXM2901

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₄₁H₃₁O₂₆

charge

-1

mass

939.1109

reference

chebi:145902

InChIKey

QJYNZEYHSMRWBK-NIKIMHBISA-M

InChI

InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/p-1/t27-,33-,34+,35-,41+/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]1OC(=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
CHEBI:145902 chebi:145902	1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose(1-)
metacyc.compound:12346-PENTAKIS-O-GALLOYL-BETA-D-GLUC metacycM:12346-PENTAKIS-O-GALLOYL-BETA-D-GLUC	1,2,3,4,6-pentagalloylglucose 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
CHEBI:18082 chebi:18082	1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose 1,2,3,4,6-Pgg 1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose Pentagalloyl-beta-D-glucose Pentagalloylglucose beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate)
seed.compound:cpd02785 seedM:cpd02785	Pentagalloyl-beta-D-glucose 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose 1,2,3,4,6-pentagalloylglucose 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose Pentagalloylglucose
kegg.compound:C04576 keggC:C04576	Pentagalloylglucose 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose Pentagalloyl-beta-D-glucose
chebi:11132 chebi:18854 chebi:477 keggC:M_C04576 seedM:M_cpd02785	secondary/obsolete/fantasy identifier