| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:05 UTC |
|---|
| Update Date | 2025-03-21 18:06:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00062376 |
|---|
| Frequency | 49.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O5 |
|---|
| Molecular Mass | 188.0685 |
|---|
| SMILES | COC1CC(C(=O)O)=CC(O)C1O |
|---|
| InChI Key | YLPVPANXARDHBQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclitols and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | carbonyl groupethercarboxylic acidcyclitol or derivativescarboxylic acid derivativedialkyl etherorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,2-diol |
|---|
