DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:09 UTC
Update Date	2025-03-21 18:37:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117985
Frequency	28.5
Structure
Chemical Formula	C₁₅H₁₈N₂O₅
Molecular Mass	306.1216
SMILES	O=C1CCCC(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)N1
InChI Key	ZLDYQTUXQBNQEE-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids delta lactams hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids piperidinecarboxamides piperidinones secondary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound piperidinone piperidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid piperidinecarboxamide carboxamide group delta-lactam alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound 2-piperidinecarboxamide organooxygen compound

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