DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:53 UTC
Update Date	2025-03-21 18:37:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00114926
Frequency	22.9
Structure
Chemical Formula	C₁₅H₁₈O₁₀
Molecular Mass	358.09
SMILES	COc1ccc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1OC
InChI Key	QQHYYHJSWRVMAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	tannins
Subclass	hydrolyzable tannins
Direct Parent	hydrolyzable tannins
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alkyl aryl ethers anisoles benzoic acid esters benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives dimethoxybenzenes glucuronic acid derivatives hydrocarbon derivatives m-methoxybenzoic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes p-methoxybenzoic acids and derivatives phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound benzoyl o-glucuronide monosaccharide benzoate ester alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide dimethoxybenzene beta-hydroxy acid saccharide organic oxide acetal o-dimethoxybenzene m-methoxybenzoic acid or derivatives oxane organoheterocyclic compound hydrolyzable tannin alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid methoxybenzene oxacycle organic oxygen compound p-methoxybenzoic acid or derivatives pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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