DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:23 UTC
Update Date	2025-03-25 00:45:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152028
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁NO₁₁
Molecular Mass	355.1115
SMILES	NC(CC(O)C(O)CO)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	PVRIKNRRYAHBRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha-amino acyl ester of carbohydrates
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alkyl glycosides alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound alcohol pyran carboxylic acid or derivatives fatty acyl glycoside hydroxy acid oxacycle fatty acid ester organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound alkyl glycoside

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