DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:20 UTC
Update Date	2025-03-21 18:41:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00137103
Frequency	18.2
Structure
Chemical Formula	C₂₁H₂₂N₂O₇
Molecular Mass	414.1427
SMILES	O=C(O)CCC(NC(=O)c1ccc(NC(Cc2ccccc2)C(=O)O)cc1)C(=O)O
InChI Key	VEYOFMMKAVADNU-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 homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids amphetamines and derivatives benzoyl derivatives carbonyl compounds carboxylic acids glutamic acid and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines phenylpropanoic acids secondary alkylarylamines secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid benzoyl tricarboxylic acid or derivatives benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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