DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:57 UTC
Update Date	2025-03-25 00:53:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201183
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₈O₁₅
Molecular Mass	532.1428
SMILES	COc1cc(C=CC(=O)OC2C(CO)OC(OC3C(C(=O)O)OC(O)C(O)C3O)C(O)C2O)ccc1O
InChI Key	AXIAQUPZXAZSEV-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 anisoles carbonyl compounds carboxylic acids dicarboxylic acids and derivatives enoate esters fatty acid esters glucuronic acid derivatives hemiacetals hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols pyran carboxylic acids secondary alcohols
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid hydroxycinnamic acid or derivatives alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives saccharide organic oxide acetal hemiacetal oxane primary alcohol organoheterocyclic compound enoate ester alcohol pyran carboxylic acid or derivatives methoxybenzene hydroxycinnamic acid oxacycle fatty acid ester organic oxygen compound pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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