DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:09 UTC
Update Date	2025-03-21 18:41:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132164
Frequency	19.1
Structure
Chemical Formula	C₁₄H₁₇N₃O₇
Molecular Mass	339.1066
SMILES	N=C(NC(CC(=O)O)C(=O)O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	HZPVOIRLNGOENE-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives aspartic acid and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid guanidine imine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives carboximidamide aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound aspartic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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