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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:68496 - 3-methoxysalicylic acid
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ChEBI Name
3-methoxysalicylic acid
ChEBI ID
CHEBI:68496
Definition
Benzoic acid substituted with a hydroxy group at position C-2 and a methoxy group at position C-3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H8O4
Net Charge
0
Average Mass
168.14670
Monoisotopic Mass
168.04226
InChI
InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey
AUZQQIPZESHNMG-UHFFFAOYSA-N
SMILES
COc1cccc(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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-methoxysalicylic acid (
CHEBI:68496
)
has role
metabolite (
CHEBI:25212
)
3-methoxysalicylic acid (
CHEBI:68496
)
is a
methoxysalicylic acid (
CHEBI:149777
)
IUPAC Name
2-hydroxy-3-methoxybenzoic acid
Synonym
Source
o
-vanillic acid
ChEBI
Registry Numbers
Types
Sources
2209642
Reaxys Registry Number
Reaxys
877-22-5
CAS Registry Number
ChemIDplus
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
20 May 2020