DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:07 UTC
Update Date	2025-03-25 00:59:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240382
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₆N₂O₆
Molecular Mass	402.1791
SMILES	NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C(O)C(O)C(=O)O
InChI Key	XKOYWEIBJODJRY-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives amino fatty acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid alpha-hydroxy acid fatty amide monosaccharide fatty acid medium-chain hydroxy acid beta-hydroxy acid saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives alcohol alpha-amino acid amide hydroxy acid carboxamide group amino fatty acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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