DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:20:45 UTC
Update Date	2025-03-21 18:36:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00112178
Frequency	23.7
Structure
Chemical Formula	C₁₅H₁₇NO₉
Molecular Mass	355.0903
SMILES	Nc1ccccc1C(=O)CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	NFQUHNJCEMIYAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alkyl-phenylketones amino acids aryl alkyl ketones benzoyl derivatives beta hydroxy acids and derivatives beta-keto acids and derivatives carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters glucuronic acid derivatives hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary amines pyran carboxylic acids secondary alcohols vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid beta-keto acid ketone 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound organopnictogen compound oxane organoheterocyclic compound alcohol vinylogous amide pyran carboxylic acid or derivatives hydroxy acid phenylketone oxacycle fatty acid ester pyran keto acid carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone aryl ketone

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