DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:07 UTC
Update Date	2025-03-25 00:57:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224712
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₈N₂O₁₀
Molecular Mass	386.0961
SMILES	Nc1cc(C(=O)NCC(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	CKFQYPCDFZBAKP-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 amino acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds 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 phenol ethers phenoxy compounds primary amines pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound amino acid benzoyl o-glucuronide monosaccharide pyran carboxylic acid benzamide 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hippuric acid or derivatives benzoic acid or derivatives hydroxy acid carboxamide group n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound phenoxy compound amine organooxygen compound

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