| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:29 UTC |
|---|
| Update Date | 2025-03-25 00:51:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02188750 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H36O4 |
|---|
| Molecular Mass | 352.2614 |
|---|
| SMILES | CC1(C)C(O)CCC2(C)C1CCC1(C)C(C(O)CCC(=O)O)CCC12 |
|---|
| InChI Key | SXTBFHYHVDNYRR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | carbocyclic fatty acids |
|---|
| Geometric Descriptor | aliphatic homopolycyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
|---|
| Substituents | alcoholcarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidcyclic alcoholcarboxylic acid derivativealiphatic homopolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
|---|
