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

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4-hydroxy-8-methoxyquinaldic acid

	Properties	Image
MNX_ID	MNXM10445
reference	chebi:2323
formula	C₁₁H₉NO₄
global charge	0
mol weight	219.196
InChIKey	BXZSKDOPGDPDEG-UHFFFAOYSA-N
InChI	InChI=1S/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)
SMILES	COC1=C2N=C(C(=O)O)C=C(O)C2=CC=C1

MNX internals

InChI (mnx)	InChI=1/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)
SMILES (mnx)	[CH3:1][O:16][C:9]1=[CH:4][CH:2]=[CH:3][C:6]2=[C:8]([OH:13])[CH:5]=[C:7]([C:11](=[O:14])[OH:15])[N:12]=[C:10]21

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2323 chebi:2323 BXZSKDOPGDPDEG-UHFFFAOYSA-N	4-hydroxy-8-methoxyquinaldic acid 4-hydroxy-8-methoxyquinoline-2-carboxylic acid 8-Methoxy-4-hydroxyquinoline-2-carboxylic acid 8-Methoxykynurenate Xanthurenic acid 8-methyl ether
hmdb:HMDB0060426 BXZSKDOPGDPDEG-UHFFFAOYSA-N	8-Methoxykynurenate 4-Hydroxy-8-methoxyquinaldate 4-hydroxy-8-methoxyquinoline-2-carboxylic acid 8-Methoxy-4-hydroxyquinoline-2-carboxylate 8-Methoxy-4-hydroxyquinoline-2-carboxylic acid 8-Methoxykynurenic acid 8-Methoxyxanthurenic acid 8-Methyl ether OF xanthurenic acid 8-methoxykynurenate Xanthurenate 8-methyl ether Xanthurenic acid 8-methyl ether
seed.compound:cpd03461 seedM:cpd03461 kegg.compound:C05830 keggC:C05830 BXZSKDOPGDPDEG-UHFFFAOYSA-M BXZSKDOPGDPDEG-UHFFFAOYSA-N	8-Methoxykynurenate Xanthurenic acid 8-methyl ether
hmdb:HMDB60426 keggC:M_C05830 seedM:M_cpd03461	secondary/obsolete/fantasy identifier