DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:03 UTC
Update Date	2025-03-25 00:47:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160293
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₄N₆O₉
Molecular Mass	492.1605
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)OC3OC(C(=O)O)C(O)C(O)C3O)cc1)N2
InChI Key	FUCDNMFYCLEKLZ-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 heteropolycyclic compounds
Alternative Parents	acetals amino acids azacyclic compounds benzoic acid esters benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenylalkylamines primary amines pterins and derivatives pyran carboxylic acids pyrimidones secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl o-glucuronide monosaccharide pyrimidone benzoate ester carboxylic acid derivative pyran carboxylic acid pyrimidine 1-o-glucuronide beta-hydroxy acid organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound oxane organoheterocyclic compound alcohol vinylogous amide pterin pyran carboxylic acid or derivatives azacycle heteroaromatic compound benzoic acid or derivatives hydroxy acid secondary amine secondary aliphatic/aromatic amine oxacycle pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine

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