DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:26 UTC
Update Date	2025-03-21 18:06:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060861
Frequency	51.3
Structure
Chemical Formula	C₂₂H₂₄O₁₀
Molecular Mass	448.1369
SMILES	COc1cc(C(=O)CCc2ccc(O)cc2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	GJGPPSGLOOKUML-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glycosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetals alkyl aryl ethers alkyl-phenylketones anisoles aryl alkyl ketones benzoyl derivatives beta hydroxy acids and derivatives butyrophenones carboxylic acids cinnamylphenols glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids retro-dihydrochalcones secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone glucuronic acid or derivatives aromatic heteromonocyclic compound benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide cinnamylphenol retro-dihydrochalcone alkyl aryl ether carboxylic acid derivative pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound alcohol linear 1,3-diarylpropanoid pyran carboxylic acid or derivatives hydroxy acid methoxybenzene flavonoid o-glycoside phenylketone butyrophenone oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound alkyl-phenylketone organooxygen compound aryl ketone

Showing information for DMID00060861