Search MNXref
 Feedback

6-O-galloyl-beta-D-glucose

PropertiesImage
MNX_IDMNXM102118 Image of MNXM102118
referencechebi:65941
formulaC13H16O10
global charge0
mol weight332.261
InChIKeyVGVDLJNNDOFWKT-JEUROIALSA-N
InChIInChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13-/m1/s1
SMILESO=C(OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)C1=CC(O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13-/m1/s1 Image of MNXM102118
SMILES (mnx)[CH:1]1=[C:4]([C:12](=[O:20])[O:22][CH2:3][C@@H:7]2[C@@H:9]([OH:17])[C@H:10]([OH:18])[C@@H:11]([OH:19])[C@H:13]([OH:21])[O:23]2)[CH:2]=[C:6]([OH:15])[C:8]([OH:16])=[C:5]1[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65941
chebi:65941
VGVDLJNNDOFWKT-JEUROIALSA-N 		6-O-galloyl-beta-D-glucose
6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
hmdb:HMDB0302912
VGVDLJNNDOFWKT-JEUROIALSA-N 		6-O-Galloylglucose
6-O-Galloyl-b-D-glucose
6-O-Galloyl-beta-D-glucose
[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

metacyc.compound:CPD-8948
metacycM:CPD-8948
seed.compound:cpd25505
seedM:cpd25505
VGVDLJNNDOFWKT-JEUROIALSA-N 		6-O-galloylglucose

seedM:M_cpd25505 		secondary/obsolete/fantasy identifier