DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:26 UTC
Update Date	2025-03-21 18:29:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00077624
Frequency	44.1
Structure
Chemical Formula	C₁₂H₁₅N₅O₉
Molecular Mass	373.087
SMILES	Nc1nc(=O)c2c([nH]1)NC(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)N2
InChI Key	SICOAKOEXPOOMV-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 alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives lactams monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary amines pterins and derivatives pyran carboxylic acids pyrimidones secondary alcohols secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid or derivatives amino acid o-glucuronide monosaccharide pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid pyrimidine 1-o-glucuronide beta-hydroxy acid organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol vinylogous amide pterin pyran carboxylic acid or derivatives azacycle heteroaromatic compound hydroxy acid secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine

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