DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:46 UTC
Update Date	2025-03-25 00:59:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237325
Frequency	0.5
Structure
Chemical Formula	C₁₉H₁₉N₃O₇
Molecular Mass	401.1223
SMILES	O=C(N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)NC(Cc1ccccc1)C(=O)O
InChI Key	MOEVXVNNVRJXDJ-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	alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organopnictogen compounds phenylpropanoic acids 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 tricarboxylic acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine carbonic acid derivative azacycle n-carbamoyl-alpha-amino acid tetrahydropyridine organic 1,3-dipolar compound secondary amine phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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