CHEBI:216466 - Tagetolone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tagetolone
ChEBI ID CHEBI:216466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24O4
Net Charge 0
Average Mass 280.364
Monoisotopic Mass 280.16746
InChI InChI=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
InChIKey OQJDVTONDORMQG-UHFFFAOYSA-N
SMILES O=C(C(CC1=C(OC)C(=C(O)C=C1C)C)C)CC(O)C
Metabolite of Species Details
Alternaria tagetica (NCBI:txid160391) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
9025653 ChemSpider
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