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CHEBI:201130 - Penicibilaene B

ChEBI IDCHEBI:201130
ChEBI NamePenicibilaene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O3
Net Charge0
Average Mass278.392
Monoisotopic Mass278.18819
SMILESCC(=O)O[C@@H]1C[C@H](C)[C@@]23CC=C(C)[C@@H](C2)C[C@@](C)(O)[C@@H]13
InChIInChI=1S/C17H26O3/c1-10-5-6-17-9-13(10)8-16(4,19)15(17)14(7-11(17)2)20-12(3)18/h5,11,13-15,19H,6-9H2,1-4H3/t11-,13+,14+,15+,16+,17+/m0/s1
InChIKeyMWJFQIAPGJUWFB-IIYRAJEGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25408229)
ChEBI Ontology
Outgoing Relation(s)
Penicibilaene B (CHEBI:201130) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[(1R,2S,4R,5R,6R,8S)-6-hydroxy-2,6,9-trimethyl-4-tricyclo[6.3.1.01,5]dodec-9-enyl] acetate
Manual XrefsDatabases
34981958ChemSpider