DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:40:41 UTC
Update Date	2025-03-24 17:55:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01012084
Frequency	1.4
Structure
Chemical Formula	C₂₅H₄₃NO₃₁S₃
Molecular Mass	949.0981
SMILES	COC1OC(OC2C(O)C(COS(=O)(=O)O)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)C(OC2OC(C(=O)O)C(OC)C(O)C2OS(=O)(=O)O)C(O)C1NOS(=O)(=O)O
InChI Key	KNLCRDWBMRVPFU-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	acetals alkyl glycosides alkyl sulfates alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acids dialkyl ethers 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 sulfuric acid monoesters
Substituents	fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde sulfuric acid monoester carbonyl group ether carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether 1-o-glucuronide saccharide organic oxide alpha-hydroxyaldehyde acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives aldehyde oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester organooxygen compound alkyl glycoside

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