DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:11 UTC
Update Date	2025-03-21 17:58:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00015792
Frequency	273.3
Structure
Chemical Formula	C₁₅H₁₈N₂O₉
Molecular Mass	370.1012
SMILES	Nc1ccc(C(=O)NCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChI Key	JHMWTYLFQZOHDI-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	acyl glycines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids alpha-amino acyl ester of carbohydrates amino acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hippuric acids and derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary amines pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carboxylic acid benzoyl o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal organonitrogen compound alpha-amino acid oxane organoheterocyclic compound alcohol alpha-amino acid ester n-acylglycine secondary carboxylic acid amide carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine carbonyl group glucuronic acid or derivatives aromatic heteromonocyclic compound amino acid benzamide organic oxide organopnictogen compound pyran carboxylic acid or derivatives hippuric acid or derivatives benzoic acid or derivatives hydroxy acid carboxamide group oxacycle organic oxygen compound pyran alpha-amino acyl ester of carbohydrate secondary alcohol benzenoid organic nitrogen compound organooxygen compound

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