DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:35 UTC
Update Date	2025-03-25 00:50:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179842
Frequency	0.5
Structure
Chemical Formula	C₂₉H₄₃NO₁₉
Molecular Mass	709.2429
SMILES	COc1cc(CC(O)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C(O)C=O)ccc1O
InChI Key	MZIGAEBOOBLQCE-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 acetamides alkyl aryl ethers alkyl glycosides alpha-hydroxyaldehydes anisoles c-glucuronides carboxylic acids hydrocarbon derivatives ketals methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid saccharide organic oxide alpha-hydroxyaldehyde acetal ketal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives aldehyde carboxamide group methoxybenzene oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound alkyl glycoside

Showing information for DMID02179842