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CHEBI:216141 - Brasilanone E

ChEBI IDCHEBI:216141
ChEBI NameBrasilanone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESCC(C)=C1CC(C)(C)[C@@H](O)[C@@H]2C1=CC(=O)[C@H]2C
InChIInChI=1S/C15H22O2/c1-8(2)11-7-15(4,5)14(17)13-9(3)12(16)6-10(11)13/h6,9,13-14,17H,7H2,1-5H3/t9-,13+,14+/m1/s1
InChIKeyXLMGTEHJZGGSIZ-IIMNLJJBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30308383)
ChEBI Ontology
Outgoing Relation(s)
Brasilanone E (CHEBI:216141) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,7S,7aS)-7-hydroxy-1,6,6-trimethyl-4-propan-2-ylidene-1,5,7,7a-tetrahydroinden-2-one
Manual XrefsDatabases
71048538ChemSpider