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> Main
CHEBI:38227 - macrophomic acid
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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