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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:40813 - 4-methoxybenzoic acid
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ChEBI Name
4-methoxybenzoic acid
ChEBI ID
CHEBI:40813
Definition
A methoxybenzoic acid substituted with a methoxy group at position C-4.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:40807, CHEBI:1889
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Read full article at Wikipedia
Formula
C8H8O3
Net Charge
0
Average Mass
152.14732
Monoisotopic Mass
152.04734
InChI
InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
ZEYHEAKUIGZSGI-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)C(O)=O
Metabolite of Species
Details
Ficus mucuso
(NCBI:txid309328)
Found in fruit
(BTO:0000486)
. Methanolic extract of air-dried and powdered figs(fruits) See:
PubMed
Rhododendron ferrugineum
(NCBI:txid49622)
Found in leaf
(BTO:0000713)
. MeOH extract of CHCl3 soluble fraction of air-dried,powdered leaves,p-anisic & benzoic acid mixture See:
PubMed
Cordyceps sinensis
(NCBI:txid72228)
Found in mycelium
(BTO:0001436)
. Ethanolic extract of dried mycelia See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-methoxybenzoic acid (
CHEBI:40813
)
has functional parent
benzoic acid (
CHEBI:30746
)
4-methoxybenzoic acid (
CHEBI:40813
)
has role
plant metabolite (
CHEBI:76924
)
4-methoxybenzoic acid (
CHEBI:40813
)
is a
methoxybenzoic acid (
CHEBI:25238
)
4-methoxybenzoic acid (
CHEBI:40813
)
is conjugate acid of
4-methoxybenzoate (
CHEBI:16639
)
Incoming
methyl
p
-anisate (
CHEBI:86903
)
has functional parent
4-methoxybenzoic acid (
CHEBI:40813
)
4-methoxybenzoate (
CHEBI:16639
)
is conjugate base of
4-methoxybenzoic acid (
CHEBI:40813
)
IUPAC Name
4-methoxybenzoic acid
Synonyms
Sources
4-Anisic acid
KEGG COMPOUND
4-Methoxybenzoic acid
KEGG COMPOUND
4-METHOXYBENZOIC ACID
PDBeChem
anisic acid
ChemIDplus
draconic acid
NIST Chemistry WebBook
p
-anisic acid
NIST Chemistry WebBook
p
-methoxybenzoic acid
NIST Chemistry WebBook
Manual Xrefs
Databases
ANN
PDBeChem
C00029536
KNApSAcK
C02519
KEGG COMPOUND
CPD-1076
MetaCyc
DB02795
DrugBank
HMDB0001101
HMDB
P-Anisic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
100-09-4
CAS Registry Number
KEGG COMPOUND
100-09-4
CAS Registry Number
ChemIDplus
100-09-4
CAS Registry Number
NIST Chemistry WebBook
100-09-4
CAS Registry Number
ChemIDplus
1335-08-6
CAS Registry Number
ChemIDplus
3499
Gmelin Registry Number
Gmelin
508910
Beilstein Registry Number
Beilstein
508910
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21443171
PubMed citation
Europe PMC
21619045
PubMed citation
Europe PMC
21848266
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
Last Modified
23 October 2015