DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:29 UTC
Update Date	2025-03-25 00:46:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154661
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₄O₁₁
Molecular Mass	464.1319
SMILES	COc1ccc(C2CCc3cc(O)cc(O)c3O2)cc1OC1C(O)OC(C(=O)O)C(O)C1O
InChI Key	WMTSHXCMVUMNIB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	4'-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 6-hydroxyflavonoids 8-hydroxyflavonoids alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids flavans glucuronic acid derivatives hemiacetals hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	8-hydroxyflavonoid phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran flavan 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound chromane hemiacetal oxane organoheterocyclic compound 1,2-diol alcohol benzopyran pyran carboxylic acid or derivatives 6-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol 4p-methoxyflavonoid-skeleton hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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