DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:59 UTC
Update Date	2025-03-25 00:56:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217486
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₄N₂O₂₀S₃
Molecular Mass	636.0085
SMILES	CC(=O)NC1C(O)C(NS(=O)(=O)O)C(O)C(OS(=O)(=O)O)C1OC1OC(C(=O)O)C(O)C(O)C1OS(=O)(=O)O
InChI Key	XPVPJCUUJLTCDO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl sulfates beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclamates cyclitols and derivatives cyclohexanols glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary carboxylic acid amides sulfuric acid monoamides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group carboxylic acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives cyclohexanol cyclamic_acid_derivative cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran sulfuric acid monoamide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester

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