DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:44 UTC
Update Date	2025-03-25 00:54:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205209
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁NO₁₃
Molecular Mass	411.1013
SMILES	NC1C(O)CC(OC2OC(C(=O)O)C(O)C(O)C2O)(C(=O)O)OC1CC(=O)O
InChI Key	HTGMMKLPPALHKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	beta hydroxy acids and derivatives c-glucuronides carbonyl compounds carboxylic acids delta amino acids and derivatives gamma amino acids and derivatives glucuronic acid derivatives hydrocarbon derivatives ketals monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid gamma amino acid or derivatives o-glucuronide monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound delta amino acid or derivatives oxane organoheterocyclic compound c-glucuronide alcohol pyran carboxylic acid or derivatives hydroxy acid oxacycle pyran secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound

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