CHEBI:133564 - 1-O-salicyl-D-glucose

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ChEBI Name 1-O-salicyl-D-glucose
ChEBI ID CHEBI:133564
ChEBI ASCII Name 1-O-salicyl-D-glucose
Definition An O-acyl carbohydrate that is β-D-glucose bearing a salicyl substituent at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H16O8
Net Charge 0
Average Mass 300.262
Monoisotopic Mass 300.08452
InChI 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 XNHKMZHWRNMFCU-TWEVDUBQSA-N
SMILES O1[C@@H]([C@H]([C@@H]([C@H](C1OC(C=2C(=CC=CC2)O)=O)O)O)O)CO
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-O-salicyl-D-glucose (CHEBI:133564) has functional parent salicylic acid (CHEBI:16914)
1-O-salicyl-D-glucose (CHEBI:133564) has role plant metabolite (CHEBI:76924)
1-O-salicyl-D-glucose (CHEBI:133564) is a O-acyl carbohydrate (CHEBI:52782)
1-O-salicyl-D-glucose (CHEBI:133564) is a D-glucoside (CHEBI:35436)
IUPAC Name
1-O-(2-hydroxybenzoyl)-D-glucopyranose
Synonyms Sources
1-O-(2-hydroxybenzoyl)-D-glucose ChEBI
salicylate-D-glucose ester ChEBI
Last Modified
23 March 2017