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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:20141 - 3-methylsalicylic acid
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ChEBI Name
3-methylsalicylic acid
ChEBI ID
CHEBI:20141
Definition
A monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H8O3
Net Charge
0
Average Mass
152.14730
Monoisotopic Mass
152.04734
InChI
InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey
WHSXTWFYRGOBGO-UHFFFAOYSA-N
SMILES
Cc1cccc(C(O)=O)c1O
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):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-methylsalicylic acid (
CHEBI:20141
)
has functional parent
salicylic acid (
CHEBI:16914
)
3-methylsalicylic acid (
CHEBI:20141
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
3-methylsalicylic acid (
CHEBI:20141
)
is a
monohydroxybenzoic acid (
CHEBI:25389
)
IUPAC Name
2-hydroxy-3-methylbenzoic acid
INNs
Sources
acide hydroxytoluique
ChemIDplus
acido hidroxitoluico
ChemIDplus
acidum hydroxytoluicum
ChemIDplus
hydroxytoluic acid
ChemIDplus
Synonyms
Sources
2,3-Cresotinic acid
ChemIDplus
2-Hydroxy-3-methylbenzoic acid
ChemIDplus
2-Hydroxy-m-toluic acid
NIST Chemistry WebBook
2-Hydroxy-m-toluic acid
ChemIDplus
3-Methyl-2-hydroxybenzoic acid
ChemIDplus
3-Methylsalicylsäure
ChemIDplus
3-MS
ChemIDplus
β-Cresotinic acid
NIST Chemistry WebBook
Cresotic acid
ChemIDplus
Cresotinic acid
ChemIDplus
Homosalicylic acid
ChemIDplus
Hydroxytoluylsäure
ChemIDplus
o-Cresotic acid
ChemIDplus
o-Cresotinic acid
ChemIDplus
o-Homosalicylic acid
ChemIDplus
Manual Xrefs
Databases
C14088
KEGG COMPOUND
HMDB0002390
HMDB
LSM-25625
LINCS
View more database links
Registry Numbers
Types
Sources
2086811
Reaxys Registry Number
Reaxys
83-40-9
CAS Registry Number
NIST Chemistry WebBook
83-40-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
4850727
PubMed citation
Europe PMC
4932011
PubMed citation
Europe PMC
5866726
PubMed citation
Europe PMC
Last Modified
25 February 2016