DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:14 UTC
Update Date	2025-03-25 00:59:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236123
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₀O₁₁
Molecular Mass	448.1006
SMILES	COc1ccc(-c2oc3cc(O)ccc3c2OC2OC(C(=O)O)C(O)C(O)C2O)cc1O
InChI Key	GWLSDHYQJCLSEE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	2-arylbenzofuran flavonoids
Subclass	2-arylbenzofuran flavonoids
Direct Parent	2-arylbenzofuran flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles benzofurans beta hydroxy acids and derivatives carbonyl compounds carboxylic acids furans glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	furan phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives 2-arylbenzofuran flavonoid o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives benzofuran heteroaromatic compound 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

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