| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:39 UTC |
|---|
| Update Date | 2025-03-25 00:47:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02159425 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O7 |
|---|
| Molecular Mass | 218.0427 |
|---|
| SMILES | O=CC1=CC(O)C(O)C(O)C1(O)C(=O)O |
|---|
| InChI Key | MRDYZSHVQIEQCN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | aldehydesalpha hydroxy acids and derivativescarboxylic acidscyclitols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidaldehydecyclitol or derivativescarboxylic acid derivativebeta-hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
