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CHEBI:216122 - Brasilanone B

ChEBI IDCHEBI:216122
ChEBI NameBrasilanone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESC[C@@H]1C(=O)C=C2[C@H]1CC(C)(C)C[C@@H]2C(C)(C)O
InChIInChI=1S/C15H24O2/c1-9-11-7-14(2,3)8-12(15(4,5)17)10(11)6-13(9)16/h6,9,11-12,17H,7-8H2,1-5H3/t9-,11-,12-/m0/s1
InChIKeyPKCDWPUCZAGRDO-DLOVCJGASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30308383)
ChEBI Ontology
Outgoing Relation(s)
Brasilanone B (CHEBI:216122) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4S,7aS)-4-(2-hydroxypropan-2-yl)-1,6,6-trimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one
Manual XrefsDatabases
71048535ChemSpider