DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:01 UTC
Update Date	2025-03-25 00:46:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153552
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₈O₁₁
Molecular Mass	492.1632
SMILES	COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3C(C)C2O)cc1OC
InChI Key	MMMJLRSRJLOBDB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 3'-o-methylated flavonoids 3-hydroxyflavonoids 4'-o-methylated flavonoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dimethoxybenzenes flavan-3-ols flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran flavan o-glucuronide monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide dimethoxybenzene beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound o-dimethoxybenzene chromane oxane flavan-3-ol organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole flavonoid-7-o-glucuronide secondary alcohol 4p-methoxyflavonoid-skeleton hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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