DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:41:56 UTC
Update Date	2025-03-24 20:51:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01590761
Frequency	0.8
Structure
Chemical Formula	C₃₃H₅₅N₃O₃₀S₂
Molecular Mass	1037.2312
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(O)C(NC(C)=O)C(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)C(NC(C)=O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	WNQRVDVSEOUZDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	streptamine aminoglycosides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl sulfates c-glucuronides carbonyl compounds carboxylic acids cyclitols and derivatives cyclohexanols dialkyl ethers hemiacetals hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether organic oxide acetal ketal streptamine aminoglycoside alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal 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

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