DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:34 UTC
Update Date	2025-03-21 18:33:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00096990
Frequency	28.5
Structure
Chemical Formula	C₁₅H₂₀N₂O₅
Molecular Mass	308.1372
SMILES	NC(CCCC=NC(Cc1ccc(O)cc1)C(=O)O)C(=O)O
InChI Key	JLOFIHJEBAPWHM-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids aldimines alpha amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid fatty acid medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives tyrosine or derivatives organic 1,3-dipolar compound amino fatty acid aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00096990