DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:09:41 UTC
Update Date	2025-03-25 01:44:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02501742
Frequency	0.5
Structure
Chemical Formula	C₄₂H₄₈O₂₆
Molecular Mass	968.2434
SMILES	COc1ccc(C2c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC3OC(C(=O)O)C(O)C(O)C3O)OC(c3ccc(OC)c(OC4OC(C(=O)O)C(O)C(O)C4O)c3)CC2O)cc1O
InChI Key	YMPMSIYNBJKJKQ-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 heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers alkyl glycosides anisoles benzoxepines beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols tricarboxylic acids and derivatives
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives benzoxepine o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle organic oxygen compound pyran anisole secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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