DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:45 UTC
Update Date	2025-03-25 00:45:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150564
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₉NO₂₀
Molecular Mass	649.2065
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC(C(O)CO)C(O)C(O)C(=O)O)OC(CO)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	UYTPFJNIJNLEDV-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 alpha hydroxy acids and derivatives amino fatty acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acid orthoesters carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids ketals medium-chain fatty acids medium-chain hydroxy acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid ortho ester heterocyclic fatty acid alpha-hydroxy acid monosaccharide fatty acid carboxylic acid orthoester carboxylic acid derivative pyran carboxylic acid medium-chain hydroxy acid beta-hydroxy acid organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid orthocarboxylic acid derivative oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives hydroxy acid carboxamide group amino fatty acid oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound meta-dioxane

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