DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:13:42 UTC
Update Date	2025-03-21 22:12:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00517420
Frequency	3.3
Structure
Chemical Formula	C₂₆H₄₃NO₃₃S₄
Molecular Mass	1025.06
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(OC2C(COS(=O)(=O)O)OC(OC3C(O)C(O)OC(COS(=O)(=O)O)C3O)OC2COS(=O)(=O)O)OC(C(=O)O)C1O
InChI Key	TVSQHKJOOVJDQD-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	1,3-dioxanes acetals acetamides alkyl sulfates beta hydroxy acids and derivatives carbonyl compounds carboxylic acid orthoesters carboxylic acids glucuronic acid derivatives hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group carboxylic acid ortho ester o-glucuronide monosaccharide carboxylic acid orthoester carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal orthocarboxylic acid derivative oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester meta-dioxane

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