DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:24 UTC
Update Date	2025-03-21 18:40:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00130383
Frequency	19.5
Structure
Chemical Formula	C₂₆H₄₃NO₂₂
Molecular Mass	721.2277
SMILES	CC(=O)NC1C(OC2C(C(=O)O)OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI Key	WAYRDUQKRNCJFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acids fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine 1-o-glucuronide organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside aldehyde carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

Showing information for DMID00130383