| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:36 UTC |
|---|
| Update Date | 2025-03-21 18:34:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00099513 |
|---|
| Frequency | 27.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16O3 |
|---|
| Molecular Mass | 172.1099 |
|---|
| SMILES | CC1(O)CCC(CC(=O)O)CC1 |
|---|
| InChI Key | PTSYOPJNBMGCPE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidcyclohexanolcyclic alcoholcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivative |
|---|
