DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:56:18 UTC
Update Date	2025-03-24 21:50:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01910678
Frequency	0.6
Structure
Chemical Formula	C₁₉H₃₄N₂O₃₁S₅
Molecular Mass	945.9749
SMILES	COC1OC(COS(=O)(=O)O)C(OC2C(NS(=O)(=O)O)C(O)C(OC3OC(C(=O)O)C(O)C(O)C3OS(=O)(=O)O)C(O)C2OS(=O)(=O)O)C(O)C1NOS(=O)(=O)O
InChI Key	HPLNXYHLYFDLTM-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 alkyl sulfates beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclamates cyclitols and derivatives cyclohexanols dialkyl ethers glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids sulfuric acid monoamides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether 1-o-glucuronide beta-hydroxy acid organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives cyclohexanol cyclamic_acid_derivative cyclitol or derivatives hydroxy acid cyclic alcohol oxacycle monocarboxylic acid or derivatives pyran sulfuric acid monoamide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester

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