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CHEBI:227612 - 1alpha-chloro-2beta-hydroxyeremophil-7(11),9-dien-8-one

ChEBI IDCHEBI:227612
ChEBI Name1alpha-chloro-2beta-hydroxyeremophil-7(11),9-dien-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21ClO2
Net Charge0
Average Mass268.784
Monoisotopic Mass268.12301
SMILESCC(C)=C1C[C@@]2(C)C(=CC1=O)[C@@H](Cl)[C@H](O)C[C@@H]2C
InChIInChI=1S/C15H21ClO2/c1-8(2)10-7-15(4)9(3)5-13(18)14(16)11(15)6-12(10)17/h6,9,13-14,18H,5,7H2,1-4H3/t9-,13+,14+,15+/m0/s1
InChIKeyKRUYTVXXGLLMSF-PSQHIMEXSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies PR19N-1 (ncbitaxon:1327757) - PubMed (23612371)
ChEBI Ontology
Outgoing Relation(s)
1alpha-chloro-2beta-hydroxyeremophil-7(11),9-dien-8-one (CHEBI:227612) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4aR,5S,7R,8R)-8-chloro-7-hydroxy-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
Manual XrefsDatabases
30771122ChemSpider