DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:06:50 UTC
Update Date	2025-03-24 21:02:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01650286
Frequency	0.8
Structure
Chemical Formula	C₃₂H₅₃N₃O₃₀S₂
Molecular Mass	1023.2155
SMILES	CC(=O)NC1C(O)CC(OC2OC(OC3C(O)C(NC(C)=O)C(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)C(NC(C)=O)C3O)OC(COS(=O)(=O)O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	USJCMVOQVGJZPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dioxanes acetamides alkyl sulfates carbonyl compounds carboxylic acid orthoesters carboxylic acids cyclitols and derivatives cyclohexanols dialkyl ethers hemiacetals hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative pyran carboxylic acid dialkyl ether organic oxide acetal ketal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal orthocarboxylic acid derivative oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives cyclohexanol cyclitol or derivatives cyclic alcohol 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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