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CHEBI:168381 - 1-(beta-D-Glucopyranosyloxy)-3-octanone

ChEBI IDCHEBI:168381
ChEBI Name1-(beta-D-Glucopyranosyloxy)-3-octanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O7
Net Charge0
Average Mass306.355
Monoisotopic Mass306.16785
SMILESCCCCCC(=O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H26O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h10-15,17-19H,2-8H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyLXYZKMJJLXYZTE-RKQHYHRCSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-(beta-D-Glucopyranosyloxy)-3-octanone (CHEBI:168381) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-3-one