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CHEBI:199843 - (S,S)-(+)-ascodiketone

Default Structure
ChEBI IDCHEBI:199843
ChEBI Name(S,S)-(+)-ascodiketone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H40O2
Net Charge0
Average Mass324.549
Monoisotopic Mass324.30283
SMILESCC(=O)[C@@H](C)CCCCCCCCCCCCC[C@H](C)C(C)=O
InChIInChI=1S/C21H40O2/c1-18(20(3)22)16-14-12-10-8-6-5-7-9-11-13-15-17-19(2)21(4)23/h18-19H,5-17H2,1-4H3/t18-,19-/m0/s1
InChIKeyFQXDBAIOUJICEG-OALUTQOASA-N
Species of MetaboliteComponentSourceComments
Ascochytaspecies (ncbitaxon:1756117) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
(S,S)-(+)-ascodiketone (CHEBI:199843) is a ketone (CHEBI:17087)
IUPAC Name 
(3S,17S)-3,17-dimethylnonadecane-2,18-dione
Manual XrefsDatabases
17272144ChemSpider