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macrophomate

Go to external page http://purl.obolibrary.org/obo/CHEBI_38228

A methoxybenzoate having a single methoxy group at the 3-position together with acetyl and methyl substituents at the 4- and 5-positions respectively.

Term info

Label

macrophomate

Synonyms
  • 4-acetyl-3-methoxy-5-methylbenzoate
Subsets

3_STAR

IUPAC NAME
4-acetyl-3-methoxy-5-methylbenzoate [ IUPAC ]

charge

-1

formula

C11H11O4

has obo namespace

chebi_ontology

has related synonym

macrophomate anion, 4-acetyl-3-methoxy-5-methylbenzoate ion

id

CHEBI:38228

inchi

InChI=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

inchikey

GWSISRLRTQOQNE-UHFFFAOYSA-M

mass

207.20264

monoisotopicmass

207.06628

smiles

COc1cc(cc(C)c1C(C)=O)C([O-])=O