CHEBI:80719 - Bisabolol oxide A

ChEBI IDCHEBI:80719
ChEBI NameBisabolol oxide A
Stars
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILES[H][C@@]1([C@]2(C)CC[C@H](O)C(C)(C)O2)CC=C(C)CC1
InChIInChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15+/m1/s1
InChIKeyWJHRAVIQWFQMKF-IPYPFGDCSA-N
ChEBI Ontology
Outgoing Relation(s)
Bisabolol oxide A (CHEBI:80719) is a oxanes (CHEBI:46942)
Manual XrefsDatabases
C16773KEGG COMPOUND
C00011651KNApSAcK
Registry NumbersSources
CAS:22567-36-8KEGG COMPOUND