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CHEBI:196355 - Laurencenone A

ChEBI IDCHEBI:196355
ChEBI NameLaurencenone A
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FormulaC15H22BrClO
Net Charge0
Average Mass333.697
Monoisotopic Mass332.05426
SMILESCC1=CC(=O)CC(C)(C)[C@]12CC[C@@](Cl)(Br)C(C)C2
InChIInChI=1S/C15H22BrClO/c1-10-7-12(18)9-13(3,4)14(10)5-6-15(16,17)11(2)8-14/h7,11H,5-6,8-9H2,1-4H3/t11?,14-,15-/m0/s1
InChIKeyBFXIVAVXVMGWII-CNSWMUILSA-N
ChEBI Ontology
Outgoing Relation(s)
Laurencenone A (CHEBI:196355) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6R,9R)-9-bromo-9-chloro-1,5,5,10-tetramethylspiro[5.5]undec-1-en-3-one
Manual XrefsDatabases
24846731ChemSpider