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CHEBI:216466 - Tagetolone

ChEBI IDCHEBI:216466
ChEBI NameTagetolone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESCOc1c(C)c(O)cc(C)c1CC(C)C(=O)CC(C)O
InChIInChI=1S/C16H24O4/c1-9-7-15(19)12(4)16(20-5)13(9)6-10(2)14(18)8-11(3)17/h7,10-11,17,19H,6,8H2,1-5H3
InChIKeyOQJDVTONDORMQG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria tagetica (ncbitaxon:160391) - PubMed (11312841)
ChEBI Ontology
Outgoing Relation(s)
Tagetolone (CHEBI:216466) is a methoxybenzenes (CHEBI:51683)
Tagetolone (CHEBI:216466) is a phenols (CHEBI:33853)
IUPAC Name 
5-hydroxy-1-(4-hydroxy-2-methoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
Manual XrefsDatabases
9025653ChemSpider