DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:33 UTC
Update Date	2025-03-25 01:01:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248371
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₅N₃O₈
Molecular Mass	341.0859
SMILES	Cn1c(=O)[nH]c(=O)c2c(C(=O)O)cn(C3OC(CO)C(O)C3O)c21
InChI Key	UDSCNTOEOJNQJT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrrolopyrimidine nucleosides and nucleotides
Subclass	pyrrolopyrimidine nucleosides and nucleotides
Direct Parent	pyrrolopyrimidine nucleosides and nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds azacyclic compounds heteroaromatic compounds hydrocarbon derivatives lactams monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols pyrimidinecarboxylic acids pyrimidones pyrrole carboxylic acids pyrrolo[2,3-d]pyrimidines secondary alcohols substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	lactam carboxylic acid pyrrole-3-carboxylic acid or derivatives monosaccharide pyrimidone substituted pyrrole carboxylic acid derivative pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound primary alcohol organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid pyrrolopyrimidine ribonucleoside oxacycle monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative organic nitrogen compound pyrrole-3-carboxylic acid organooxygen compound

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