DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:19 UTC
Update Date	2025-03-25 00:49:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02172304
Frequency	0.5
Structure
Chemical Formula	C₂₆H₃₇NO₁₆
Molecular Mass	619.2112
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC(=O)CCC(O)Cc3cc(O)cc(O)c3)C(O)C(O)C2O)(C(=O)O)OC1CO
InChI Key	LXTQMDMWCZDTOC-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	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetamides benzene and substituted derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids resorcinols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl glycoside of mono- or disaccharide monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid resorcinol saccharide organic oxide acetal ketal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group oxacycle secondary carboxylic acid amide fatty acid ester organic oxygen compound pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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