DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:59 UTC
Update Date	2025-03-25 01:01:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02249339
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₄O₁₁
Molecular Mass	404.1319
SMILES	COc1cc(CC(O)COC2OC(C(=O)O)C(O)C(O)C2O)cc(O)c1OC
InChI Key	NEOASJGPNDLNEC-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 aryl ethers alkyl glycosides anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dimethoxybenzenes glucuronic acid derivatives hydrocarbon derivatives 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 carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound methoxyphenol o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide dimethoxybenzene beta-hydroxy acid saccharide organic oxide acetal o-dimethoxybenzene oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 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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