DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:07 UTC
Update Date	2025-03-25 00:55:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213237
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₀N₂O₆
Molecular Mass	360.1321
SMILES	CN1C(=O)CC(=CC=NC(Cc2ccc(O)cc2)C(=O)O)CC1C(=O)O
InChI Key	DKHIKEKKUNUKCE-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids aldimines alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids delta lactams dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids piperidinecarboxylic acids piperidinones propargyl-type 1,3-dipolar organic compounds tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound aldimine organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound piperidinone piperidinecarboxylic acid piperidine organoheterocyclic compound amphetamine or derivatives tyrosine or derivatives azacycle organic 1,3-dipolar compound carboxamide group delta-lactam phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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