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CHEBI:200213 - Pinnatifidone

Default Structure
ChEBI IDCHEBI:200213
ChEBI NamePinnatifidone
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SubmitterMetaboLights
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FormulaC15H22BrClO2
Net Charge0
Average Mass349.696
Monoisotopic Mass348.04917
SMILESCC1C(=O)CC2OC3CC(C)(Cl)C(Br)CC31C2(C)C
InChIInChI=1S/C15H22BrClO2/c1-8-9(18)5-11-13(2,3)15(8)6-10(16)14(4,17)7-12(15)19-11/h8,10-12H,5-7H2,1-4H3
InChIKeyAMBZPRYSLXAMTB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pinnatifidone (CHEBI:200213) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-bromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodecan-10-one
Manual XrefsDatabases
323451ChemSpider