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CHEBI:224767 - Tagetenolone

ChEBI IDCHEBI:224767
ChEBI NameTagetenolone
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FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCOc1c(C)c(O)cc(CO)c1C[C@H](C)C(O)=CC(C)=O
InChIInChI=1S/C16H22O5/c1-9(14(19)6-10(2)18)5-13-12(8-17)7-15(20)11(3)16(13)21-4/h6-7,9,17,19-20H,5,8H2,1-4H3/t9-/m0/s1
InChIKeyVMNFFGLULPDOOU-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Alternaria tagetica (ncbitaxon:160391) - PubMed (11312841)
ChEBI Ontology
Outgoing Relation(s)
Tagetenolone (CHEBI:224767) is a methoxybenzenes (CHEBI:51683)
Tagetenolone (CHEBI:224767) is a phenols (CHEBI:33853)
IUPAC Name 
4-hydroxy-6-[4-hydroxy-6-(hydroxymethyl)-2-methoxy-3-methylphenyl]-5-methylhex-3-en-2-one
Manual XrefsDatabases
78435982ChemSpider