DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:50:07 UTC
Update Date	2025-03-25 01:12:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02316207
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₆N₂O₃₃S₄
Molecular Mass	1054.0866
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(OC2C(C(=O)O)OC(OC3C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C3O)C(OS(=O)(=O)O)C2O)OC(C(O)CO)C1O
InChI Key	NDAYULBZIIJFME-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 carbonyl compounds carboxylic acids glucuronic acid derivatives hemiacetals hydrocarbon derivatives 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 sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group carboxylic acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives 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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