DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:43 UTC
Update Date	2025-03-25 00:48:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02166426
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₃N₃O₁₂
Molecular Mass	461.1282
SMILES	CC(=O)Nc1ccn(C2OC(CO)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)c(=O)n1
InChI Key	YCRADZWSKMQHGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleosides
Subclass	pyrimidine nucleosides
Direct Parent	pyrimidine nucleosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals acetamides azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives monosaccharides n-acetylarylamines o-glucuronides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives n-acetylarylamine aromatic heteromonocyclic compound o-glucuronide monosaccharide pyrimidone n-arylamide carboxylic acid derivative pyran carboxylic acid pyrimidine 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound organopnictogen compound pyrimidine nucleoside oxane primary alcohol imidolactam organoheterocyclic compound acetamide alcohol carbonic acid derivative pyran carboxylic acid or derivatives azacycle tetrahydrofuran heteroaromatic compound hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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