DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:03 UTC
Update Date	2025-03-25 00:51:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185411
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₇N₃O₅
Molecular Mass	319.1168
SMILES	NC(=O)C1=NC(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)CC1
InChI Key	WLYMELHKYGWMKS-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives ketimines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds pyrroline carboxylic acids and derivatives secondary carboxylic acid amides
Substituents	primary carboxylic acid amide ketimine monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives azacycle n-acyl-alpha-amino acid pyrroline carboxylic acid or derivatives organic 1,3-dipolar compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives pyrroline organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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