| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:40 UTC |
|---|
| Update Date | 2025-03-21 18:34:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00102155 |
|---|
| Frequency | 26.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H24O12 |
|---|
| Molecular Mass | 480.1268 |
|---|
| SMILES | COc1ccc(C2COc3c(O)cc(OC4C(O)C(O)C(O)C(O)C4C(=O)O)cc3O2)cc1O |
|---|
| InChI Key | VDXGELUMDGZBBC-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzo-1,4-dioxanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxinsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundalcohol2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxanecyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
