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benzoyl-beta-D-glucoside

PropertiesImage
MNX_IDMNXM16237 Image of MNXM16237
referencechebi:141410
formulaC13H16O7
global charge0
mol weight284.264
InChIKeyLVFCLUMIBMHAFL-HMUNZLOLSA-N
InChIInChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1
SMILESO=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1 Image of MNXM16237
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]([C:12](=[O:18])[O:20][C@H:13]2[C@H:11]([OH:17])[C@@H:10]([OH:16])[C@H:9]([OH:15])[C@@H:8]([CH2:6][OH:14])[O:19]2)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:141410
chebi:141410
LVFCLUMIBMHAFL-HMUNZLOLSA-N 		benzoyl-beta-D-glucoside
benzoyl-beta-D-glucopyranose

seed.compound:cpd23502
seedM:cpd23502
LVFCLUMIBMHAFL-HMUNZLOLSA-N 		benzenecarboxylic acid beta-D-glucose ester
benzoate beta-D-glucose ester
benzoic acid beta-D- glucose ester
benzoyl-beta-D-glucopyranose
benzoyl-beta-D-glucoside
benzoyl-beta-glucoside
beta-D-glucopyranose, 1-benzoate
phenylformic acid glucose ester

metacyc.compound:CPD-12630
metacycM:CPD-12630
LVFCLUMIBMHAFL-HMUNZLOLSA-N 		benzoyl-beta-D-glucopyranose
benzenecarboxylic acid beta-D-glucose ester
benzoate beta-D-glucose ester
benzoic acid beta-D- glucose ester
benzoyl-beta-D-glucoside
benzoyl-beta-glucoside
beta-D-glucopyranose, 1-benzoate
phenylformic acid glucose ester

seedM:M_cpd23502 		secondary/obsolete/fantasy identifier