DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:52 UTC
Update Date	2025-03-21 18:38:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122037
Frequency	21.2
Structure
Chemical Formula	C₁₉H₂₀N₂O₇
Molecular Mass	388.1271
SMILES	COC(=O)C(Cc1ccc(O)cc1)N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1
InChI Key	KUKPELGVTWMKGC-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 aldimines alpha amino acid esters alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines fatty acid esters hydrocarbon derivatives methyl esters organic oxides organopnictogen compounds phenylalanine and derivatives propargyl-type 1,3-dipolar organic compounds tetrahydropyridines tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid imine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives propargyl-type 1,3-dipolar organic compound aldimine organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine tyrosine or derivatives alpha-amino acid ester azacycle tetrahydropyridine organic 1,3-dipolar compound secondary amine fatty acid ester phenylalanine or derivatives organic oxygen compound carboxylic acid ester phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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