benzoyl-β-D-glucopyranose
Chemical Formula:
C13H16O7
Molecular Weight:
284.265 Daltons
Monoisotopic Mass:
284.0896028683 Daltons
SMILES:
C(O)C2(OC(OC(C1(C=CC=CC=1))=O)C(O)C(O)C(O)2)
InChI:
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
InChIKey:
Synonyms
- benzoic acid β-D- glucose ester
- benzenecarboxylic acid β-D-glucose ester
- phenylformic acid glucose ester
- β-D-glucopyranose, 1-benzoate
- benzoyl-β-glucoside
- benzoyl-β-D-glucoside
- benzoate β-D-glucose ester
Databases
MetaCyc:
CPD-12630
PubChem (CID):
12314096
Seed:
cpd23502
MetaNetX:
MNXM16237
ChEBI:
141410