DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:47 UTC
Update Date	2025-03-21 17:58:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00012692
Frequency	356.5
Structure
Chemical Formula	C₁₆H₁₉NO₉
Molecular Mass	369.106
SMILES	Cc1ccccc1C(=O)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	OXXBQLHKIBHBFB-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 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 organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides o-toluamides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound benzoyl o-glucuronide monosaccharide pyran carboxylic acid toluamide benzamide 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal o-toluamide organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives alpha-amino acid ester hippuric acid or derivatives benzoic acid or derivatives hydroxy acid carboxamide group n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound toluene organooxygen compound

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