DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:02 UTC
Update Date	2025-03-21 18:37:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117701
Frequency	22.2
Structure
Chemical Formula	C₁₈H₁₉N₃O₆
Molecular Mass	373.1274
SMILES	Nc1ccccc1CC(N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)C(=O)O
InChI Key	MDIHVUFYBNZVRZ-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	aldimines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives organic oxides organopnictogen compounds phenylpropanoic acids primary amines propargyl-type 1,3-dipolar organic compounds tetrahydropyridines tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid imine tricarboxylic acid or derivatives propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine azacycle tetrahydropyridine organic 1,3-dipolar compound secondary amine phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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