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CHEBI:231190 - (2R,5S,8R)-2,8-Dimethyl-5-propan-2-ylcyclodecan-1-one

ChEBI IDCHEBI:231190
ChEBI Name(2R,5S,8R)-2,8-Dimethyl-5-propan-2-ylcyclodecan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O
Net Charge0
Average Mass224.388
Monoisotopic Mass224.21402
SMILESCC1CCC(=O)C(C)CCC(C(C)C)CC1
InChIInChI=1S/C15H28O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h11-14H,5-10H2,1-4H3
InChIKeyNNYHIVNQMWPBFK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(2R,5S,8R)-2,8-Dimethyl-5-propan-2-ylcyclodecan-1-one (CHEBI:231190) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
2,8-dimethyl-5-propan-2-ylcyclodecan-1-one
Manual XrefsDatabases
HMDB0257819HMDB
75113016ChemSpider