| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:15 UTC |
|---|
| Update Date | 2025-03-25 01:01:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02247722 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H12O6 |
|---|
| Molecular Mass | 276.0634 |
|---|
| SMILES | O=CC1OC(=O)C2C(c3ccc4c(c3)OCO4)OCC12 |
|---|
| InChI Key | SARRFPRPFOEGLI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxoles |
|---|
| Subclass | benzodioxoles |
|---|
| Direct Parent | benzodioxoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsaldehydesalpha-acyloxy aldehydesbenzenoidscarboxylic acid estersdialkyl ethersfurofuransgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | carbonyl groupethertetrahydrofuranaldehydecarboxylic acid derivativedialkyl ethergamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundfurofurancarboxylic acid esterhydrocarbon derivativebenzenoidalpha-acyloxy aldehydeorganooxygen compoundbenzodioxole |
|---|
