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CHEBI:216117 - Brasilanone A

ChEBI IDCHEBI:216117
ChEBI NameBrasilanone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC[C@@H]1C(=O)C=C2C(C(C)(C)O)=CC(C)(C)C[C@H]21
InChIInChI=1S/C15H22O2/c1-9-11-7-14(2,3)8-12(15(4,5)17)10(11)6-13(9)16/h6,8-9,11,17H,7H2,1-5H3/t9-,11-/m0/s1
InChIKeyINMINHZDFXCZEL-ONGXEEELSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30308383)
ChEBI Ontology
Outgoing Relation(s)
Brasilanone A (CHEBI:216117) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,7aS)-4-(2-hydroxypropan-2-yl)-1,6,6-trimethyl-7,7a-dihydro-1H-inden-2-one
Manual XrefsDatabases
71048534ChemSpider