DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:46 UTC
Update Date	2025-03-25 00:50:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180283
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₄O₁₂
Molecular Mass	444.1268
SMILES	COc1cc(C=CC(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C=O)ccc1O
InChI Key	VJSYYCKPULBKBH-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 acetals alkyl aryl ethers alkyl glycosides alpha-hydroxyaldehydes anisoles beta hydroxy acids and derivatives beta-hydroxy aldehydes carboxylic acids fatty alcohols glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety beta-hydroxy aldehyde carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide alpha-hydroxyaldehyde acetal fatty alcohol oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives aldehyde hydroxy acid methoxybenzene oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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