DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:56 UTC
Update Date	2025-03-25 00:57:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224304
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₆O₁₆
Molecular Mass	546.1221
SMILES	O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(C(=O)O)C1O
InChI Key	MYCGCWNHVIFFAI-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 benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclitols and derivatives cyclohexanols enoate esters fatty acid esters glucuronic acid derivatives hydrocarbon derivatives hydroxycinnamic acids monosaccharides organic oxides oxacyclic compounds oxanes pyran carboxylic acids tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid hydroxycinnamic acid or derivatives 1-o-glucuronide alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives beta-hydroxy acid organic oxide acetal oxane organoheterocyclic compound enoate ester alcohol pyran carboxylic acid or derivatives cyclohexanol cyclitol or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol hydroxycinnamic acid oxacycle fatty acid ester pyran carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid

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