DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:35 UTC
Update Date	2025-03-21 18:33:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097021
Frequency	28.4
Structure
Chemical Formula	C₂₀H₂₈O₁₂
Molecular Mass	460.1581
SMILES	CCc1ccc(OC2OC(COC3OC(C(=O)O)C(O)C(O)C3O)C(O)C(O)C2O)cc1
InChI Key	ATKDKRGRPPLOJC-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	acetals beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid oxacycle monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative benzenoid phenoxy compound

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