salicylate β-D-glucose ester
Chemical Formula:
C13H16O8
Molecular Weight:
300.265 Daltons
Monoisotopic Mass:
300.0845174904 Daltons
SMILES:
C(O)C2(OC(OC(C1(C=CC=CC=1O))=O)C(O)C(O)C(O)2)
InChI:
1S/C13H16O8/c14-5-8-9(16)10(17)11(18)13(20-8)21-12(19)6-3-1-2-4-7(6)15/h1-4,8-11,13-18H,5H2/t8-,9-,10+,11-,13+/m1/s1
InChIKey:
Synonyms
- salicylic acid β-D-glucose ester
- β-D-glucopyranose, 1-(2-hydroxybenzoate)
- SGE
- SA β-D-glucose ester
- 2-hydroxybenzoic acid glucose ester
- glucosyl salicylate
Databases
MetaCyc:
CPD-12629
PubChem (CID):
49859589
CAS:
60517-74-0
ChEBI:
145681
Seed:
cpd23501
MetaNetX:
MNXM21683