DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:37 UTC
Update Date	2025-03-25 01:02:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253067
Frequency	0.5
Structure
Chemical Formula	C₂₀H₁₈N₂O₄
Molecular Mass	350.1267
SMILES	O=C(Cn1ccc(=O)c2ccccc21)NC(Cc1ccccc1)C(=O)O
InChI Key	KKAFTUVQTBRAPY-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 heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids polyhalopyridines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid polyhalopyridine organic oxide aromatic heteropolycyclic compound organonitrogen compound quinoline alpha-amino acid organopnictogen compound 2-halopyridine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine dihydroquinoline carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives dihydroquinolone pyridine phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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