| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:06 UTC |
|---|
| Update Date | 2025-03-21 18:34:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100737 |
|---|
| Frequency | 27.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O5 |
|---|
| Molecular Mass | 248.0685 |
|---|
| SMILES | O=C1OCC2C(O)C(c3ccc4c(c3)OCO4)C12 |
|---|
| InChI Key | GLNQJNWXNBIXBK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxoles |
|---|
| Subclass | benzodioxoles |
|---|
| Direct Parent | benzodioxoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsbenzenoidscarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanessecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcaprolactonecarbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundcyclobutanolcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
|---|
