CHEBI:137839 - ethyl 3-O-β-D-glucopyranosyl-butanoate

ChEBI IDCHEBI:137839
ChEBI Nameethyl 3-O-β-D-glucopyranosyl-butanoate
Stars
ASCII Nameethyl 3-O-beta-D-glucopyranosyl-butanoate
Last Modified12 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC12H22O8
Net Charge0
Average Mass294.300
Monoisotopic Mass294.13147
SMILESCCOC(=O)CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H22O8/c1-3-18-8(14)4-6(2)19-12-11(17)10(16)9(15)7(5-13)20-12/h6-7,9-13,15-17H,3-5H2,1-2H3/t6?,7-,9-,10+,11-,12-/m1/s1
InChIKeyHEBPYQNXDMDRKR-SXNZSZCHSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 3-O-β-D-glucopyranosyl-butanoate (CHEBI:137839) is a O-acyl carbohydrate (CHEBI:52782)
Manual XrefsDatabases
LMFA13010042LIPID MAPS