DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:54 UTC
Update Date	2025-03-25 00:52:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02191908
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₉NO₂₀
Molecular Mass	649.2065
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)(CO)C(=O)O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	UNNFTZYIEKYNCQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha hydroxy acids and derivatives beta hydroxy acids and derivatives branched fatty acids c-glucuronides carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tertiary alcohols
Substituents	fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid alpha-hydroxy acid monosaccharide fatty acid carboxylic acid derivative pyran carboxylic acid beta-hydroxy acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives hydroxy acid carboxamide group branched fatty acid oxacycle secondary carboxylic acid amide tertiary alcohol organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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