EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2984 - Bakkenolide A

ChEBI IDCHEBI:2984
ChEBI NameBakkenolide A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILES[H][C@]12CCC[C@H](C)[C@@]1(C)C[C@]1(C2)C(=C)COC1=O
InChIInChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3/t10-,12+,14+,15+/m0/s1
InChIKeyOVXAYHNZXBOVPV-QMGNLALYSA-N
ChEBI Ontology
Outgoing Relation(s)
Bakkenolide A (CHEBI:2984) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
Bakkenolide AKEGG COMPOUND
Manual XrefsDatabases
C09350KEGG COMPOUND
C00003225KNApSAcK
Registry NumbersSources
CAS:19906-72-0KEGG COMPOUND