DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:37 UTC
Update Date	2025-03-21 18:04:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00049626
Frequency	66.4
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)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	JZSXJVIYSYUPCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha hydroxy acids and derivatives amino fatty acids beta hydroxy acids and derivatives c-glucuronides carbonyl compounds 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 oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid alpha-hydroxy acid monosaccharide fatty acid carboxylic acid derivative pyran carboxylic acid medium-chain hydroxy acid beta-hydroxy acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid 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 organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound saccharolipid organooxygen compound

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