DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:37 UTC
Update Date	2025-03-25 01:01:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250835
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₉N₃O₁₀
Molecular Mass	425.107
SMILES	O=C(O)CC(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	NIUHQWKFQXIANH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	benzimidazole ribonucleosides and ribonucleotides
Subclass	benzimidazole ribonucleosides and ribonucleotides
Direct Parent	benzimidazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids aspartic acid and derivatives azacyclic compounds benzenoids benzimidazoles carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide aromatic heteropolycyclic compound benzimidazole imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol carbonic acid derivative azacycle n-acyl-alpha-amino acid 1-ribofuranosylbenzimidazole tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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