DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:48:02 UTC
Update Date	2025-03-25 01:34:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02451036
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₅NO₃₄S₄
Molecular Mass	1067.0706
SMILES	COC1C(C(=O)O)OC(OC2C(O)C(OC3OC(COS(=O)(=O)O)CC(O)C3NC(C)=O)C(O)C(COS(=O)(=O)O)C2OC2OC(C(=O)O)C(O)C(O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C1O
InChI Key	NDNFQZOOAGWHBN-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclitols and derivatives cyclohexanols dialkyl ethers dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether 1-o-glucuronide beta-hydroxy acid organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives cyclohexanol cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester

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