DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:18 UTC
Update Date	2025-03-21 18:04:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00048872
Frequency	67.7
Structure
Chemical Formula	C₁₄H₁₆O₁₁
Molecular Mass	360.0693
SMILES	COc1c(O)cc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1O
InChI Key	HYCBUBYLSZTDJJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	tannins
Subclass	tannins
Direct Parent	tannins
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes p-methoxybenzoic acids and derivatives phenoxy compounds pyran carboxylic acids resorcinols secondary alcohols m-hydroxybenzoic acid esters
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide benzoate ester alkyl aryl ether carboxylic acid derivative pyran carboxylic acid resorcinol 1-o-glucuronide beta-hydroxy acid saccharide organic oxide tannin acetal oxane m-hydroxybenzoic acid ester organoheterocyclic compound alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle organic oxygen compound p-methoxybenzoic acid or derivatives pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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