DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:59 UTC
Update Date	2025-03-25 00:52:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02192077
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₂O₁₁
Molecular Mass	484.1945
SMILES	CCCCCCCC=CC(O)C(=O)c1c(O)cc(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	BQUKETHGMPJPQS-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 acyloins alkyl glycosides alkyl-phenylketones aryl alkyl ketones benzoyl derivatives beta hydroxy acids and derivatives carboxylic acids fatty alcohols glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids resorcinols secondary alcohols vinylogous acids
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone glucuronic acid or derivatives aromatic heteromonocyclic compound benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid resorcinol ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal fatty alcohol oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid phenylketone oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran acyloin secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound alkyl-phenylketone organooxygen compound alkyl glycoside aryl ketone

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