| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:33 UTC |
|---|
| Update Date | 2025-03-21 18:34:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00099386 |
|---|
| Frequency | 27.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H14O3 |
|---|
| Molecular Mass | 146.0943 |
|---|
| SMILES | COC(CC(C)C)C(=O)O |
|---|
| InChI Key | MJHYCHHBCQHJNB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | short-chain hydroxy acids and derivatives |
|---|
| Direct Parent | short-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupethercarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativebranched fatty aciddialkyl etherorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
