DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:19 UTC
Update Date	2025-03-21 18:03:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00041678
Frequency	82.3
Structure
Chemical Formula	C₁₃H₁₅NO₉
Molecular Mass	329.0747
SMILES	Nc1c(O)cccc1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	WKIJDDXAPICFIQ-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals amino acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary amines pyran carboxylic acids secondary alcohols vinylogous amides m-hydroxybenzoic acid esters
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide benzoate ester carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound organopnictogen compound oxane m-hydroxybenzoic acid ester organoheterocyclic compound alcohol vinylogous amide pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine

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