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CHEBI:167973 - Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]

ChEBI IDCHEBI:167973
ChEBI NameButyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H34O12
Net Charge0
Average Mass454.469
Monoisotopic Mass454.20503
SMILESCCCCOC(=O)CC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3
InChIKeyMLIAQAVEASULJH-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 [arabinosyl-(1->6)-glucoside] (CHEBI:167973) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
butyl 3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybutanoate
Manual XrefsDatabases
HMDB0039214HMDB