DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:01 UTC
Update Date	2025-03-25 00:57:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224497
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₁N₃O₉
Molecular Mass	435.1278
SMILES	O=C(NC(Cc1ccccc1)C(=O)O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O
InChI Key	NFYGTJGOOFEVEP-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 acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives lactams monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds phenylpropanoic acids primary alcohols pyrimidine nucleosides pyrimidinecarboxylic acids and derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid monosaccharide pyrimidone pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrimidine nucleoside primary alcohol organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol vinylogous amide carbonic acid derivative azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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