DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:50 UTC
Update Date	2025-03-21 18:28:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00071341
Frequency	42.1
Structure
Chemical Formula	C₁₄H₂₀N₂O₅
Molecular Mass	296.1372
SMILES	NC(Cc1ccccc1)C(=O)NC1OC(CO)C(O)C1O
InChI Key	UIFXRGXBRSVGOE-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound fatty amide monosaccharide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound amphetamine or derivatives alcohol alpha-amino acid amide tetrahydrofuran carboxamide group oxacycle secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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