DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:37 UTC
Update Date	2025-03-21 18:04:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00051899
Frequency	62.8
Structure
Chemical Formula	C₂₀H₂₀N₂O₅
Molecular Mass	368.1372
SMILES	O=C(O)CCC(NC(=O)c1ccc(N2Cc3ccccc3C2)cc1)C(=O)O
InChI Key	IRCSRXNHEAXFEH-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aminobenzamides aniline and substituted anilines aralkylamines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives isoindoles isoindolines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl aralkylamine benzamide organic oxide isoindoline aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid isoindole hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives glutamic acid or derivatives carboxamide group aminobenzamide secondary carboxylic acid amide organic oxygen compound isoindole or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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