MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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6-Hydroxykynurenic acid

	Properties	Image
MNX_ID	MNXM10363
reference	chebi:2195
formula	C₁₀H₇NO₄
global charge	0
mol weight	205.169
InChIKey	CQUUHDQRJWXDPY-UHFFFAOYSA-N
InChI	InChI=1S/C10H7NO4/c12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15/h1-4,12H,(H,11,13)(H,14,15)
SMILES	O=C(O)C1=CC(=O)C2=C(C=CC(O)=C2)N1

MNX internals

InChI (mnx)	InChI=1/C10H7NO4/c12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15/h1-4,12H,(H,11,13)(H,14,15)
SMILES (mnx)	[CH:1]1=[CH:2][C:7]2=[C:6]([CH:3]=[C:5]1[OH:12])[C:9](=[O:13])[CH:4]=[C:8]([C:10](=[O:14])[OH:15])[NH:11]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2195 chebi:2195 CQUUHDQRJWXDPY-UHFFFAOYSA-N	6-Hydroxykynurenic acid 4,6-Dihydroxyquinaldic acid
hmdb:HMDB0033528 CQUUHDQRJWXDPY-UHFFFAOYSA-N	4,6-Dihydroxy-2-quinolinecarboxylic acid 1,4-dihydro-6-Hydroxy-4-oxo-2-quinolinecarboxylic acid, 9ci 4,6-Dihydroxy-2-quinolinecarboxylate 6-Hydroxykynurenate 6-Hydroxykynurenic acid 6-hydroxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid 6-hydroxykynurenic acid
kegg.compound:C05663 keggC:C05663 CQUUHDQRJWXDPY-UHFFFAOYSA-N	6-Hydroxykynurenate 4,6-Dihydroxyquinaldic acid 6-Hydroxykynurenic acid
seed.compound:cpd03373 seedM:cpd03373 CQUUHDQRJWXDPY-UHFFFAOYSA-M	6-Hydroxykynurenate 4,6-Dihydroxyquinaldic acid 6-Hydroxykynurenic acid C08480
kegg.compound:C08480 keggC:C08480 CQUUHDQRJWXDPY-UHFFFAOYSA-N	6-Hydroxykynurenic acid
hmdb:HMDB33528 keggC:M_C05663 keggC:M_C08480 seedM:M_cpd03373	secondary/obsolete/fantasy identifier