DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:24 UTC
Update Date	2025-03-25 00:50:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02183921
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₈O₁₆
Molecular Mass	560.1377
SMILES	O=C1CCC(Cc2ccc(OC3OC(C(=O)O)C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C3O)cc2O)O1
InChI Key	VVXKFGXQYRZZBY-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 acetals alkyl glycosides beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans tricarboxylic acids and derivatives
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid lactone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid gamma butyrolactone oxacycle organic oxygen compound pyran carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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