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CHEBI:198997 - Nambinone D

ChEBI IDCHEBI:198997
ChEBI NameNambinone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O2
Net Charge0
Average Mass232.323
Monoisotopic Mass232.14633
SMILESC=C1C=CC(=O)[C@@]1(C)[C@@H]1CC(C)(C)C=C1CO
InChIInChI=1S/C15H20O2/c1-10-5-6-13(17)15(10,4)12-8-14(2,3)7-11(12)9-16/h5-7,12,16H,1,8-9H2,2-4H3/t12-,15-/m1/s1
InChIKeyMHQYVHBVEQNYQZ-IUODEOHRSA-N
Species of MetaboliteComponentSourceComments
Neonothopanus nambi (ncbitaxon:71958) - DOI (10.1016/j.tet.2012.07.057)
ChEBI Ontology
Outgoing Relation(s)
Nambinone D (CHEBI:198997) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one
Manual XrefsDatabases
78436440ChemSpider