| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:40 UTC |
|---|
| Update Date | 2025-03-21 18:03:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044986 |
|---|
| Frequency | 75.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O5 |
|---|
| Molecular Mass | 188.0685 |
|---|
| SMILES | O=C(O)CC1(O)C=CC(O)CC1O |
|---|
| InChI Key | QNJMKKADWXMGKF-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidcyclitol or derivativescarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
|---|
