DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:06 UTC
Update Date	2025-03-25 00:47:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160390
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₅NO₁₀
Molecular Mass	345.0696
SMILES	Nc1ccc(O)c(C(=O)O)c1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	VTAAQFSIWIYCJV-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-carboxy-2-haloaromatic compounds 1-hydroxy-2-unsubstituted benzenoids acetals amino acids benzoic acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds primary amines pyran carboxylic acids salicylic acids secondary alcohols vinylogous acids
Substituents	phenol ether 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 salicylic acid carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid hydroxybenzoic acid oxacycle vinylogous acid salicylic acid or derivatives pyran secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound phenoxy compound amine

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