DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:03 UTC
Update Date	2025-03-25 00:58:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233386
Frequency	0.5
Structure
Chemical Formula	C₈H₁₀N₄O₃
Molecular Mass	210.0753
SMILES	CC(O)C1=Nn2cc(C(=O)O)nc2NC1
InChI Key	WKCHQXKVJXXZGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	imidazoles
Direct Parent	carbonylimidazoles
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2,4-triazines amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid carboxylic acid derivative organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound imidazole-4-carbonyl group n-substituted imidazole alcohol vinylogous amide azacycle heteroaromatic compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound secondary alcohol triazine hydrocarbon derivative organic nitrogen compound 1,2,4-triazine organooxygen compound amine

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