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CHEBI:167975 - Butyl (S)-3-hydroxybutyrate glucoside

ChEBI IDCHEBI:167975
ChEBI NameButyl (S)-3-hydroxybutyrate glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O8
Net Charge0
Average Mass322.354
Monoisotopic Mass322.16277
SMILESCCCCOC(=O)CC(C)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C14H26O8/c1-3-4-5-20-10(16)6-8(2)21-14-13(19)12(18)11(17)9(7-15)22-14/h8-9,11-15,17-19H,3-7H2,1-2H3
InChIKeyYUPCLHHTUNDMAN-UHFFFAOYSA-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)
Butyl (S)-3-hydroxybutyrate glucoside (CHEBI:167975) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
butyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
Manual XrefsDatabases
HMDB0031694HMDB