CHEBI:2984 - Bakkenolide A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bakkenolide A
ChEBI ID CHEBI:2984
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H22O2
Net Charge 0
Average Mass 234.335
Monoisotopic Mass 234.16198
InChI InChI=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
InChIKey OVXAYHNZXBOVPV-QMGNLALYSA-N
SMILES C[C@H]1CCC[C@@H]2C[C@@]3(C[C@]12C)C(=C)COC3=O
ChEBI Ontology
Outgoing Bakkenolide A (CHEBI:2984) is a sesquiterpenoid (CHEBI:26658)
Synonym Source
Bakkenolide A KEGG COMPOUND
Manual Xrefs Databases
C00003225 KNApSAcK
C09350 KEGG COMPOUND
View more database links
Registry Number Type Source
19906-72-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014