DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:06 UTC
Update Date	2025-03-21 18:06:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00064748
Frequency	47.5
Structure
Chemical Formula	C₁₇H₁₇N₅O₅
Molecular Mass	371.123
SMILES	Nc1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2nc1-c1ccccc1
InChI Key	WRRYBSPZEUKIDV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazepines
Subclass	1,4-diazepines
Direct Parent	1,4-diazepines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines secondary alcohols tetrahydrofurans vinylogous amides
Substituents	monocyclic benzene moiety monosaccharide saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound oxacycle para-diazepine organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID00064748