DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:05 UTC
Update Date	2025-03-21 17:59:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00019949
Frequency	204.0
Structure
Chemical Formula	C₁₄H₁₆O₁₀
Molecular Mass	344.0743
SMILES	COc1ccc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1
InChI Key	DDLHOIKJUMHCMG-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 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 organic oxides oxacyclic compounds oxanes p-methoxybenzoic acids and derivatives 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 methoxyphenol benzoyl 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 oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle vinylogous acid salicylic acid or derivatives o-hydroxybenzoic acid ester p-methoxybenzoic acid or derivatives pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound

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