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CHEBI:168606 - Preisocalamendiol

ChEBI IDCHEBI:168606
ChEBI NamePreisocalamendiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILESC=C1CC/C=C(/C)CC[C@@H](C(C)C)C(=O)C1
InChIInChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6-/t14-/m0/s1
InChIKeyQTFJNWQFKJITEE-ZDWRTJATSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Preisocalamendiol (CHEBI:168606) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
(2S,5Z)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one
Manual XrefsDatabases
28426483ChemSpider