DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 02:06:18 UTC
Update Date	2025-03-21 20:47:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00357880
Frequency	5.3
Structure
Chemical Formula	C₃₀H₄₉N₃O₃₁S₃
Molecular Mass	1043.1512
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)OC1COS(=O)(=O)O
InChI Key	VLQUDMVMKBOXLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyrans
Subclass	pyran carboxylic acids and derivatives
Direct Parent	pyran carboxylic acids
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 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 dialkyl ether saccharide organic oxide acetal ketal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal orthocarboxylic acid derivative oxane acetamide 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 organic oxygen compound secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester meta-dioxane organooxygen compound

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