DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:21 UTC
Update Date	2025-03-25 00:57:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225217
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₂O₆
Molecular Mass	350.1478
SMILES	CC(C(=O)O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	SDWUMZIFNKDLFX-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 alanine and derivatives alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides trialkylamines tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid or derivatives amino acid 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine tertiary aliphatic amine carboxamide group alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives alanine or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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