DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:25 UTC
Update Date	2025-03-25 00:45:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152120
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₄N₂O₁₀
Molecular Mass	428.1431
SMILES	NC(COC1OC(C(=O)O)C(O)C(O)C1O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	AJCQXUBEIYCIOL-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides n-acyl-alpha amino acids o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives phenylpropanoic acids pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid o-glucuronide monosaccharide alpha-amino acid or derivatives pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol pyran carboxylic acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group alpha-dipeptide oxacycle secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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