DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:16 UTC
Update Date	2025-03-25 00:56:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218127
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₄O₄
Molecular Mass	266.1015
SMILES	N=C(N)NC(=O)CC(C(=O)O)c1cccc(O)c1N
InChI Key	AAJTZTVWELSIEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	phenols
Subclass	1-hydroxy-2-unsubstituted benzenoids
Direct Parent	1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids amino acids benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds primary amines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid guanidine imine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound carboximidamide 1-hydroxy-4-unsubstituted benzenoid n-acyl-amine aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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