DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:50:50 UTC
Update Date	2025-03-25 00:26:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01325220
Frequency	1.0
Structure
Chemical Formula	C₃₅H₆₀N₂O₃₁S
Molecular Mass	1036.2901
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C(NS(=O)(=O)O)C3O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	IVODDRGMNSPELA-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 aldehydes c-glucuronides carboxylic acids hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoamides
Substituents	fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid saccharide organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives aldehyde carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran sulfuric acid monoamide secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside

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