DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:37 UTC
Update Date	2025-03-21 18:38:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119112
Frequency	21.9
Structure
Chemical Formula	C₁₄H₁₅N₃O₅
Molecular Mass	305.1012
SMILES	NC(C(=O)O)C(=O)C1N=C(O)C(Cc2ccccc2)N=C1O
InChI Key	PDGDTAKDNPPHMC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds azacyclic compounds benzene and substituted derivatives beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids cyclic carboximidic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	beta-hydroxy ketone monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound beta-keto acid propargyl-type 1,3-dipolar organic compound ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azacycle organic 1,3-dipolar compound monocarboxylic acid or derivatives organic oxygen compound keto acid hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound cyclic carboximidic acid organooxygen compound

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