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CHEBI:212851 - Isotorquatone

ChEBI IDCHEBI:212851
ChEBI NameIsotorquatone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESCC[C@H](C)C(=O)c1c(OC)c(C)c(OC)c(C)c1OC
InChIInChI=1S/C16H24O4/c1-8-9(2)13(17)12-15(19-6)10(3)14(18-5)11(4)16(12)20-7/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyNPBLAHCDLPLESG-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Dichotomomyces (ncbitaxon:255780) - DOI (10.1039/c7ob01837a)
ChEBI Ontology
Outgoing Relation(s)
Isotorquatone (CHEBI:212851) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one