DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:51 UTC
Update Date	2025-03-21 18:02:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00040558
Frequency	85.1
Structure
Chemical Formula	C₁₄H₁₆O₁₀
Molecular Mass	344.0743
SMILES	COc1ccc(O)c(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChI Key	NHQFXEKMDIHGAY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 4-alkoxyphenols 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 m-methoxybenzoic acids and derivatives methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids salicylic acid and derivatives secondary alcohols vinylogous acids o-hydroxybenzoic acid esters
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound benzoyl methoxyphenol o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide benzoate ester alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal m-methoxybenzoic acid or derivatives oxane organoheterocyclic compound alcohol 4-alkoxyphenol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid methoxybenzene oxacycle vinylogous acid salicylic acid or derivatives o-hydroxybenzoic acid ester pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound

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