Feedback

1,2,6-tris-O-galloyl-beta-D-glucose

Properties

Image

Occurences in reactions

MNX_ID

MNXM723194

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

formula

C₂₇H₂₄O₁₈

charge

mass

636.09626

reference

chebi:27395

InChIKey

LLENXGNWVNSBQG-VFTFQOQOSA-N

InChI

InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/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](O)[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:27395 chebi:27395	1,2,6-tris-O-galloyl-beta-D-glucose 1,2,6-Trigalloylglucose 1,2,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose 1-O,2-O,6-O-Trigalloyl-beta-D-glucose
metacyc.compound:CPD-8947 metacycM:CPD-8947	1,2,6-trikis-O-galloyl-beta-D-glucose 1,2,6-tri-O-gallose-beta-D-glucopyranose
kegg.compound:C04360 keggC:C04360	1-O,2-O,6-O-Trigalloyl-beta-D-glucose 1,2,6-Trigalloylglucose
seed.compound:cpd02671 seedM:cpd02671	1-O,2-O,6-O-Trigalloyl-beta-D-glucose 1,2,6-Trigalloylglucose 1,2,6-tri-O-gallose-beta-D-glucopyranose 1,2,6-trikis-O-galloyl-beta-D-glucose
chebi:18976 chebi:649 keggC:M_C04360 seedM:M_cpd02671	secondary/obsolete/fantasy identifier