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CHEBI:184247 - Acutifolane A

ChEBI IDCHEBI:184247
ChEBI NameAcutifolane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O3
Net Charge0
Average Mass262.349
Monoisotopic Mass262.15689
SMILESC=CC1=CC(=O)C2(C(=O)OC)[C@H](C)CC[C@@]2(C)[C@@H]1C
InChIInChI=1S/C16H22O3/c1-6-12-9-13(17)16(14(18)19-5)10(2)7-8-15(16,4)11(12)3/h6,9-11H,1,7-8H2,2-5H3/t10-,11-,15+,16?/m1/s1
InChIKeyXEJHIPPQYNXLCZ-PQTJLGCFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
Acutifolane A (CHEBI:184247) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl (3R,7R,7aS)-6-ethenyl-3,7,7a-trimethyl-4-oxo-1,2,3,7-tetrahydroindene-3a-carboxylate
Manual XrefsDatabases
24846723ChemSpider