DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:34 UTC
Update Date	2025-03-21 18:03:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00044705
Frequency	75.6
Structure
Chemical Formula	C₁₄H₁₈N₂O₅
Molecular Mass	294.1216
SMILES	CC(=O)NCCC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	OPXNTYPUJXZRCS-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 acetamides alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives n-acyl-alpha-amino acid carboxamide group beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hybrid peptide phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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