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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:34334 - 3-formylsalicylic acid
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ChEBI Name
3-formylsalicylic acid
ChEBI ID
CHEBI:34334
Definition
A hydroxybenzoic acid that is salicylic acid in which the hydrogen at position 3 is substituted by a formyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20023
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Formula
C8H6O4
Net Charge
0
Average Mass
166.13080
Monoisotopic Mass
166.02661
InChI
InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)
InChIKey
YOEUNKPREOJHBW-UHFFFAOYSA-N
SMILES
OC(=O)c1cccc(C=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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-formylsalicylic acid (
CHEBI:34334
)
has functional parent
salicylic acid (
CHEBI:16914
)
3-formylsalicylic acid (
CHEBI:34334
)
is a
aldehyde (
CHEBI:17478
)
3-formylsalicylic acid (
CHEBI:34334
)
is a
monohydroxybenzoic acid (
CHEBI:25389
)
3-formylsalicylic acid (
CHEBI:34334
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
3-formyl-2-hydroxybenzoic acid
Synonyms
Sources
2-hydroxy-3-formylbenzoic acid
ChEBI
2-Hydroxyisophthalaldehydic acid
KEGG COMPOUND
3-carboxy-2-hydroxybenzaldehyde
ChEBI
3-Formylsalicylic acid
KEGG COMPOUND
Manual Xrefs
Databases
c0728
UM-BBD
C14096
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1102567
Reaxys Registry Number
Reaxys
610-04-8
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
28166217
PubMed citation
Europe PMC
Last Modified
08 June 2017