DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:05 UTC
Update Date	2025-03-25 00:49:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02174072
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₁NO₂₅
Molecular Mass	779.1968
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)(C(=O)O)OC1(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	IWKNGJLBPJLRMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl glycosides alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes carboxylic acids glucuronic acid derivatives hydrocarbon derivatives ketals monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives aldehyde hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside

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