DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:42 UTC
Update Date	2025-03-25 00:53:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200589
Frequency	0.5
Structure
Chemical Formula	C₃₃H₄₀O₂₂
Molecular Mass	788.2011
SMILES	COc1ccc(C2Cc3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC3OC(COC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)O2)cc1O
InChI Key	ATBNTQIEVLSMCX-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids coumarans dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	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 coumaran alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle organic oxygen compound pyran anisole secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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