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CHEBI:151101 - Methyl 3,4-dimethyl-2-(3-methylbutanoyl)benzoate

ChEBI IDCHEBI:151101
ChEBI NameMethyl 3,4-dimethyl-2-(3-methylbutanoyl)benzoate
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FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESCOC(=O)c1ccc(C)c(C)c1C(=O)CC(C)C
InChIInChI=1S/C15H20O3/c1-9(2)8-13(16)14-11(4)10(3)6-7-12(14)15(17)18-5/h6-7,9H,8H2,1-5H3
InChIKeyOYSMRNJJZRRGLG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) cell lysate (BTO:0004304) MetaboLights (MTBLS1079) Strain: Escherichia coli str. K-12 substr. DH10B [NCBITAXON:316385]
ChEBI Ontology
Outgoing Relation(s)
Methyl 3,4-dimethyl-2-(3-methylbutanoyl)benzoate (CHEBI:151101) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 3,4-dimethyl-2-(3-methylbutanoyl)benzoate