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quinoline-4-carboxylate

PropertiesImage
MNX_IDMNXM4097 Image of MNXM4097
referencechebi:58440
formulaC10H6NO2
global charge-1
mol weight172.163
InChIKeyVQMSRUREDGBWKT-UHFFFAOYSA-M
InChIInChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)/p-1
SMILESO=C([O-])C1=C2C=CC=CC2=NC=C1
MNX internals
InChI (mnx)InChI=1/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13) Image of MNXM4097
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]2[C:7](=[CH:3]1)[C:8]([C:10]([OH:12])=[O:13])=[CH:5][CH:6]=[N:11]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58440
chebi:58440
VQMSRUREDGBWKT-UHFFFAOYSA-M
quinoline-4-carboxylate
quinoline-4-carboxylic acid anion
quinoline-4-carboxylic acid(1-)

sabiork.compound:8625
sabiorkM:8625
VQMSRUREDGBWKT-UHFFFAOYSA-N
4-Quinolinecarboxylic acid
Cinchonic acid
Quinoline-4-carboxylate

kegg.compound:C06414
keggC:C06414
VQMSRUREDGBWKT-UHFFFAOYSA-N
4-Quinolinecarboxylic acid
Cinchonic acid
Quinoline-4-carboxylate
Quinoline-4-carboxylic acid

seed.compound:cpd03837
seedM:cpd03837
VQMSRUREDGBWKT-UHFFFAOYSA-M
Cinchonic acid
4-Quinolinecarboxylic acid
Quinoline-4-carboxylate
Quinoline-4-carboxylic acid
quinoline-4-carboxylate
hmdb:HMDB0257047
VQMSRUREDGBWKT-UHFFFAOYSA-N
Quinoline-4-carboxylic acid
4-Quinolinecarboxylate
4-Quinolinecarboxylic acid
Cinchonate
Cinchonic acid
Cinchoninic acid
Quinoline-4-carboxylate
quinoline-4-carboxylic acid

metacyc.compound:QUINOLINE-4-CARBOXYLATE
metacycM:QUINOLINE-4-CARBOXYLATE
VQMSRUREDGBWKT-UHFFFAOYSA-M
quinoline-4-carboxylate
4-quinolinecarboxylic acid
cinchonic acid
quinoline-4-carboxylic acid

CHEBI:18311
chebi:18311
VQMSRUREDGBWKT-UHFFFAOYSA-N
quinoline-4-carboxylic acid
4-Quinolinecarboxylic acid
Cinchonic acid
Quinoline-4-carboxylate
Quinoline-4-carboxylic acid

chebi:15008
chebi:1930
chebi:26511
keggC:M_C06414
seedM:M_cpd03837
secondary/obsolete/fantasy identifier