DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:34 UTC
Update Date	2025-03-25 00:46:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02157047
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₄O₁₂
Molecular Mass	480.1268
SMILES	O=C1OCC(Cc2cc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)C1Cc1ccco1
InChI Key	KONPXHZCVQQRDE-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 dicarboxylic acids and derivatives furans gamma butyrolactones glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids resorcinols secondary alcohols tetrahydrofurans
Substituents	furan 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 carboxylic acid derivative pyran carboxylic acid resorcinol lactone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tetrahydrofuran heteroaromatic compound hydroxy acid 1-hydroxy-4-unsubstituted benzenoid gamma butyrolactone oxacycle organic oxygen compound pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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