CHEBI:38227 - macrophomic acid

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ChEBI Name macrophomic acid ChEBI ID CHEBI:38227 Definition A methoxybenzoic acid having a single methoxy group at the 3-position together with acetyl and methyl substituents at the 4- and 5-positions respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H12O4 Net Charge 0 Average Mass 208.21058 Monoisotopic Mass 208.07356 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) InChIKey GWSISRLRTQOQNE-UHFFFAOYSA-N SMILES COc1cc(cc(C)c1C(C)=O)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing macrophomic acid (CHEBI:38227) has functional parent benzoic acid (CHEBI:30746) macrophomic acid (CHEBI:38227) is a methoxybenzoic acid (CHEBI:25238) macrophomic acid (CHEBI:38227) is conjugate acid of macrophomate (CHEBI:38228) Incoming macrophomate (CHEBI:38228) is conjugate base of macrophomic acid (CHEBI:38227) IUPAC Name 4-acetyl-3-methoxy-5-methylbenzoic acid Registry Numbers Types Sources 5743941 Reaxys Registry Number Reaxys 5743941 Beilstein Registry Number Beilstein Last Modified 14 March 2011