DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:45 UTC
Update Date	2025-03-21 18:34:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102366
Frequency	26.6
Structure
Chemical Formula	C₂₈H₄₁NO₁₈
Molecular Mass	679.2324
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC(=O)CCC(O)Cc3ccc(O)c(O)c3)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	HOXJYNDNPUDQLZ-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 c-glucuronides 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 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 saccharide organic oxide acetal ketal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide 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

Showing information for DMID00102366