DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:03 UTC
Update Date	2025-03-25 00:57:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02222296
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₂O₉
Molecular Mass	406.1264
SMILES	OCC1OC(Oc2ccc3c(c2)OCC(c2ccc(O)cc2)O3)C(O)C(O)C1O
InChI Key	GQKFAVGXGFOKAS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	benzodioxanes
Subclass	phenylbenzodioxanes
Direct Parent	phenylbenzo-1,4-dioxanes
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetals alkyl aryl ethers benzene and substituted derivatives benzo-1,4-dioxanes hydrocarbon derivatives monosaccharides oxacyclic compounds oxanes para dioxins phenol ethers primary alcohols secondary alcohols
Substituents	phenol ether monocyclic benzene moiety ether 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether saccharide acetal aromatic heteropolycyclic compound oxane primary alcohol alcohol 2-phenylbenzo-1,4-dioxane benzo-1,4-dioxane oxacycle organic oxygen compound para-dioxin secondary alcohol phenol hydrocarbon derivative benzenoid organooxygen compound

Showing information for DMID02222296