DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:01 UTC
Update Date	2025-03-25 00:50:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02183100
Frequency	0.5
Structure
Chemical Formula	C₁₉H₁₆O₉
Molecular Mass	388.0794
SMILES	O=c1-o-c2=c-c=c3-c(=c-1-3)-c=c-c=c-c(OC1OC(C(=O)O)C(O)C(O)C1O)=c-2
InChI Key	GTIQCPMZXYCXCH-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	aliphatic heteropolycyclic compounds
Alternative Parents	acetals beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives enoate esters enol esters glucuronic acid derivatives hydrocarbon derivatives lactones monosaccharides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	carbonyl group carboxylic acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid lactone 1-o-glucuronide aliphatic heteropolycyclic compound alpha,beta-unsaturated carboxylic ester beta-hydroxy acid organic oxide acetal oxane enol ester organoheterocyclic compound enoate ester alcohol pyran carboxylic acid or derivatives hydroxy acid oxacycle pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative

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