EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173720 - Petasitolone

ChEBI IDCHEBI:173720
ChEBI NamePetasitolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILES[H][C@]12CCC[C@H](C)[C@@]1(C)C=C(C(C)(C)O)C(=O)C2
InChIInChI=1S/C15H24O2/c1-10-6-5-7-11-8-13(16)12(14(2,3)17)9-15(10,11)4/h9-11,17H,5-8H2,1-4H3/t10-,11+,15+/m0/s1
InChIKeyLYFRYUAWUBLCKH-FIXISWKDSA-N
ChEBI Ontology
Outgoing Relation(s)
Petasitolone (CHEBI:173720) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
Manual XrefsDatabases
4478569ChemSpider
Registry NumbersSources
CAS:35124-22-2ChemIDplus