| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:19 UTC |
|---|
| Update Date | 2025-03-25 00:47:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163161 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O6 |
|---|
| Molecular Mass | 226.0477 |
|---|
| SMILES | O=C(O)C(O)COc1ccc2c(c1)OCO2 |
|---|
| InChI Key | XXQSJWIWWWIGJG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxoles |
|---|
| Subclass | benzodioxoles |
|---|
| Direct Parent | benzodioxoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl ethersalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenol etherssecondary alcoholssugar acids and derivatives |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidalpha-hydroxy acidmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxideacetalglyceric_acidaromatic heteropolycyclic compoundbenzodioxolealcoholhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
