DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:49 UTC
Update Date	2025-03-25 00:59:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239665
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₂O₅
Molecular Mass	282.1216
SMILES	NCC(=O)NC(Cc1ccc(O)cc1)C(O)CC(=O)O
InChI Key	ADTFZQNXLJHKHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives alcohol alpha-amino acid amide hydroxy acid carboxamide group amino fatty acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hybrid peptide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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