DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:56 UTC
Update Date	2025-03-25 00:53:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203365
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₂N₂O₁₁
Molecular Mass	442.1224
SMILES	O=C(O)C1OC(Oc2ccc3c(c2)ncn3C2OC(CO)C(O)C2O)C(O)C(O)C1O
InChI Key	DDFBYMVFUPVFJA-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	acetals azacyclic compounds benzimidazoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers primary alcohols pyran carboxylic acids secondary alcohols tetrahydrofurans
Substituents	phenol ether carbonyl group carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound benzimidazole imidazole organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol pyran carboxylic acid or derivatives azacycle 1-ribofuranosylbenzimidazole tetrahydrofuran heteroaromatic compound hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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