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2-formylbenzoate

PropertiesImage
MNX_IDMNXM1883 Image of MNXM1883
referencechebi:58203
formulaC8H5O3
global charge-1
mol weight149.125
InChIKeyDYNFCHNNOHNJFG-UHFFFAOYSA-M
InChIInChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)/p-1
SMILESO=CC1=CC=CC=C1C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11) Image of MNXM1883
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]([C:8](=[O:10])[OH:11])[C:6]([CH:5]=[O:9])=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58203
chebi:58203
DYNFCHNNOHNJFG-UHFFFAOYSA-M
2-formylbenzoate
2-carboxylatobenzaldehyde
2-formylbenzoate anion
2-formylbenzoate(1-)

envipath:...d9ff3a3279a7
envipathM:...d9ff3a3279a7
DYNFCHNNOHNJFG-UHFFFAOYSA-M
2-Carboxybenzaldehyde

kegg.compound:C03057
keggC:C03057
DYNFCHNNOHNJFG-UHFFFAOYSA-N
2-Carboxybenzaldehyde
2-Formylbenzoate
2-Formylbenzoic acid
Phthalaldehydic acid
o-Formylbenzoic acid

sabiork.compound:2643
sabiorkM:2643
DYNFCHNNOHNJFG-UHFFFAOYSA-N
2-Carboxybenzaldehyde
Phthalaldehydic acid
o-Formylbenzoic acid

metacyc.compound:CPD-1131
metacycM:CPD-1131
DYNFCHNNOHNJFG-UHFFFAOYSA-M
2-formylbenzoate
2-carboxybenzaldehyde
o-formylbenzoate
o-formylbenzoic acid
phthalaldehydic acid

CHEBI:17605
chebi:17605
DYNFCHNNOHNJFG-UHFFFAOYSA-N
2-formylbenzoic acid
2-Carboxybenzaldehyde
2-Formylbenzoic acid
Phthalaldehydic acid
o-Formylbenzoic acid
o-formylbenzoic acid

envipath:...6b2dcd8e7732
envipathM:...6b2dcd8e7732
DYNFCHNNOHNJFG-UHFFFAOYSA-M
compound 0042662

vmhM:ofbnzt
vmhmetabolite:ofbnzt
DYNFCHNNOHNJFG-UHFFFAOYSA-N
o-Formylbenzoic acid

seed.compound:cpd01956
seedM:cpd01956
DYNFCHNNOHNJFG-UHFFFAOYSA-M
o-Formylbenzoic acid
2-Carboxybenzaldehyde
2-Formylbenzoate
2-Formylbenzoic acid
2-carboxybenzaldehyde
2-formylbenzoate
Phthalaldehydic acid
o-formylbenzoate
o-formylbenzoic acid
phthalaldehydic acid

chebi:1037
chebi:11538
chebi:19497
keggC:M_C03057
seedM:M_cpd01956
vmhM:M_ofbnzt
secondary/obsolete/fantasy identifier