| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:41 UTC |
|---|
| Update Date | 2025-03-25 00:47:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02164002 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18O4 |
|---|
| Molecular Mass | 226.1205 |
|---|
| SMILES | CC1=CC(=O)CCC1OC(=O)C(C)(C)CO |
|---|
| InChI Key | NNLPRUCKVNMLPW-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 | alcohols and polyolscarboxylic acid esterscyclohexenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | alcoholcyclohexenonecarbonyl groupcyclic ketonecarboxylic acid derivativeketonebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
