| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:33 UTC |
|---|
| Update Date | 2025-03-25 00:54:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02209434 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H24O4 |
|---|
| Molecular Mass | 280.1675 |
|---|
| SMILES | CC1=CC(=O)CC(C)(C)C1C=CC(O)CCCC(=O)O |
|---|
| InChI Key | BVNAXJZRERGQKN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | prenol lipids |
|---|
| Subclass | sesquiterpenoids |
|---|
| Direct Parent | sesquiterpenoids |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbocyclic fatty acidscarboxylic acidscyclohexenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylcyclohexenonecarbocyclic fatty acidcarbonyl groupcarboxylic acidmegastigmane sesquiterpenoidcyclic ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneorganic oxidemonocarboxylic acid or derivativessesquiterpenoidorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
|---|
