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CHEBI:168250 - Procurcumenol

ChEBI IDCHEBI:168250
ChEBI NameProcurcumenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILES[H][C@]12CC(=C(C)C)C(=O)C=C(C)[C@]1([H])CC[C@]2(C)O
InChIInChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h7,11,13,17H,5-6,8H2,1-4H3/t11-,13-,15-/m0/s1
InChIKeyRHBOHEXDGUVIIY-WHOFXGATSA-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)
Procurcumenol (CHEBI:168250) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,3aS,8aR)-3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one
Manual XrefsDatabases
164275ChemSpider
Registry NumbersSources
CAS:21698-40-8ChemIDplus