DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:17 UTC
Update Date	2025-03-25 00:49:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02174554
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₂N₆O₁₄
Molecular Mass	604.1976
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(n3cnc4c(=O)[nH]c(N)nc43)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	MOWSASUMDRTMCU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles ketals lactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines purines and purine derivatives pyran carboxylic acids pyrimidones secondary alcohols secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid or derivatives amino acid monosaccharide pyrimidone imidazopyrimidine carboxylic acid derivative pyran carboxylic acid pyrimidine organic oxide acetal aromatic heteropolycyclic compound imidazole ketal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide azole n-substituted imidazole c-glucuronide alcohol vinylogous amide pyran carboxylic acid or derivatives azacycle heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound amine

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