DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:25 UTC
Update Date	2025-03-25 00:58:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234244
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₈O₁₁
Molecular Mass	374.0849
SMILES	COC(=O)c1c(O)cc(O)cc1OC1OC(C(=O)OC)C(O)C(O)C1O
InChI Key	KTLVPHMNQWPWKX-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 benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives methyl esters monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids resorcinols salicylic acid and derivatives secondary alcohols vinylogous acids o-hydroxybenzoic acid esters p-hydroxybenzoic acid alkyl esters
Substituents	phenol ether monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound p-hydroxybenzoic acid ester benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide benzoate ester carboxylic acid derivative pyran carboxylic acid resorcinol 1-o-glucuronide beta-hydroxy acid organic oxide methyl ester acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid p-hydroxybenzoic acid alkyl ester oxacycle vinylogous acid salicylic acid or derivatives o-hydroxybenzoic acid ester pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound

Showing information for DMID02234244