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CHEBI:202660 - Penicibilaene A

ChEBI IDCHEBI:202660
ChEBI NamePenicibilaene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESCC1=CC[C@]23C[C@H]1C[C@@](C)(O)[C@H]2[C@H](O)C[C@@H]3C
InChIInChI=1S/C15H24O2/c1-9-4-5-15-8-11(9)7-14(3,17)13(15)12(16)6-10(15)2/h4,10-13,16-17H,5-8H2,1-3H3/t10-,11+,12+,13+,14+,15+/m0/s1
InChIKeyKCUAHALVFZQCSG-CMBQYIQPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25408229)
ChEBI Ontology
Outgoing Relation(s)
Penicibilaene A (CHEBI:202660) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,2S,4R,5R,6R,8S)-2,6,9-trimethyltricyclo[6.3.1.01,5]dodec-9-ene-4,6-diol
Manual XrefsDatabases
34981883ChemSpider