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CHEBI:38228 - macrophomate

ChEBI IDCHEBI:38228
ChEBI Namemacrophomate
Stars
DefinitionA methoxybenzoate having a single methoxy group at the 3-position together with acetyl and methyl substituents at the 4- and 5-positions respectively.
Last Modified13 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H11O4
Net Charge-1
Average Mass207.205
Monoisotopic Mass207.06628
SMILESCOc1cc(C(=O)[O-])cc(C)c1C(C)=O
InChIInChI=1S/C11H12O4/c1-6-4-8(11(13)14)5-9(15-3)10(6)7(2)12/h4-5H,1-3H3,(H,13,14)/p-1
InChIKeyGWSISRLRTQOQNE-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
macrophomate (CHEBI:38228) has functional parent benzoate (CHEBI:16150)
macrophomate (CHEBI:38228) is a methoxybenzoate (CHEBI:25236)
macrophomate (CHEBI:38228) is conjugate base of macrophomic acid (CHEBI:38227)
Incoming Relation(s)
macrophomic acid (CHEBI:38227) is conjugate acid of macrophomate (CHEBI:38228)
IUPAC Name 
4-acetyl-3-methoxy-5-methylbenzoate
Synonyms  Source
4-acetyl-3-methoxy-5-methylbenzoate ionChEBI
macrophomate anionChEBI