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CHEBI:72776 - kunzeaol

ChEBI IDCHEBI:72776
ChEBI Namekunzeaol
Stars
DefinitionA germacrane sesquiterpenoid derived from germacrane by dehydrogenation between the 1-10 and 4-5 positions as well as hydroxylation at position 6.
Last Modified15 March 2013
SubmitterKAX
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILESC/C1=C\[C@H](O)[C@@H](C(C)C)CC/C(C)=C/CC1
InChIInChI=1S/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14-16H,5,7-9H2,1-4H3/b12-6+,13-10+/t14-,15+/m1/s1
InChIKeyPXMCURAOQSNMOZ-MDKMTUDGSA-N
ChEBI Ontology
Outgoing Relation(s)
kunzeaol (CHEBI:72776) is a germacrane sesquiterpenoid (CHEBI:68588)
kunzeaol (CHEBI:72776) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,2E,6E,10R)-10-isopropyl-3,7-dimethylcyclodeca-2,6-dien-1-ol
Synonym  Source
6β-hydroxygermacra-1(10),4-dieneSUBMITTER
UniProt Name  Source
kunzeaolUniProt
Manual XrefsDatabases
CPD-15241MetaCyc
Registry NumbersSources
Reaxys:23130283Reaxys
Citations