DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:01 UTC
Update Date	2025-03-25 00:57:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224498
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₁N₃O₆
Molecular Mass	411.143
SMILES	O=C(Nc1ccc(O)cc1)c1ncn(C2OC(CO)C(O)C2O)c1-c1ccccc1
InChI Key	QXBDFQLBVBULEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 2-heteroaryl carboxamides aromatic anilides azacyclic compounds benzene and substituted derivatives carbonyl compounds carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds phenylimidazoles primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group monocyclic benzene moiety aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative 2-heteroaryl carboxamide 4-phenylimidazole aromatic anilide saccharide organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide 5-phenylimidazole organic oxygen compound secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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