DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:21 UTC
Update Date	2025-03-25 00:57:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225189
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₃N₅O₈
Molecular Mass	449.1547
SMILES	Nc1nc(=O)c2c([nH]1)NCC(Cc1cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c1)N2
InChI Key	UWHFTJIMZPCKNX-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds primary amines pterins and derivatives pyran carboxylic acids pyrimidones secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid o-glucuronide monosaccharide pyrimidone 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 hydroxy acid secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound phenoxy compound amine

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