| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:31 UTC |
|---|
| Update Date | 2025-03-25 00:47:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163611 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H30O6 |
|---|
| Molecular Mass | 354.2042 |
|---|
| SMILES | CC12CCC(O)CC1C(O)C1C2C(O)CC2(C)C1CCC2(O)C(=O)O |
|---|
| InChI Key | HCGAQGNNYZHKMT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | alpha hydroxy acids and derivatives |
|---|
| Direct Parent | alpha hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic homopolycyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclic alcoholcarboxylic acid derivativealiphatic homopolycyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
