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CHEBI:192031 - (+)-alpha-Bisabolol

ChEBI IDCHEBI:192031
ChEBI Name(+)-alpha-Bisabolol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@]1([C@](C)(O)CCC=C(C)C)CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyRGZSQWQPBWRIAQ-LSDHHAIUSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
(+)-alpha-Bisabolol (CHEBI:192031) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
Manual XrefsDatabases
HMDB0036197HMDB
1266723ChemSpider
Registry NumbersSources
CAS:515-69-5ChemIDplus