DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:03 UTC
Update Date	2025-03-21 17:59:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00022166
Frequency	179.2
Structure
Chemical Formula	C₈H₁₂N₄O₅
Molecular Mass	244.0808
SMILES	Nc1nc(=O)n(C2CC(O)C(CO)O2)c(=O)[nH]1
InChI Key	XCMNLQJDDNSSFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	triazines
Subclass	aminotriazines
Direct Parent	aminotriazines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds halo-s-triazines heteroaromatic compounds hydrocarbon derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines secondary alcohols tetrahydrofurans triazinones
Substituents	amino-1,3,5-triazine aromatic heteromonocyclic compound monosaccharide saccharide organic oxide organonitrogen compound organopnictogen compound primary alcohol alcohol carbonic acid derivative azacycle tetrahydrofuran aminotriazine heteroaromatic compound oxacycle organic oxygen compound halo-s-triazine secondary alcohol hydrocarbon derivative 1,3,5-triazine primary amine organic nitrogen compound amine triazinone organooxygen compound

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