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CHEBI:167989 - Bisacurone B

ChEBI IDCHEBI:167989
ChEBI NameBisacurone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC(C)=CC(=O)CC(C)C1C=CC(C)(O)C(O)C1
InChIInChI=1S/C15H24O3/c1-10(2)7-13(16)8-11(3)12-5-6-15(4,18)14(17)9-12/h5-7,11-12,14,17-18H,8-9H2,1-4H3
InChIKeyQJOWFYQIUZMPRY-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)
Bisacurone B (CHEBI:167989) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
6-(4,5-dihydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one
Manual XrefsDatabases
35014587ChemSpider
HMDB0038502HMDB