DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:25 UTC
Update Date	2025-03-21 18:05:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058391
Frequency	54.1
Structure
Chemical Formula	C₁₆H₁₈N₂O₆
Molecular Mass	334.1165
SMILES	O=C(O)C(Cc1ccc(O)c(O)c1)N=CC=C1CNC(C(=O)O)C1
InChI Key	YZPUJUIEPCEJAC-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 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidine carboxylic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid imine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound aldimine organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives proline or derivatives secondary aliphatic amine tyrosine or derivatives azacycle organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid secondary amine pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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