| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:13 UTC |
|---|
| Update Date | 2025-03-25 00:57:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02227088 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H37NO7 |
|---|
| Molecular Mass | 487.257 |
|---|
| SMILES | CC(C)c1c(CCC(=O)O)c(C(=O)c2ccccc2)c(C(C)C)n1CCC(O)CC(O)CC(=O)O |
|---|
| InChI Key | JTPVBKBXHCSXQD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl-phenylketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino fatty acidsaryl ketonesazacyclic compoundsbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrrolesvinylogous amides |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidbenzoylfatty acidsubstituted pyrrolecarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amideazacyclearyl-phenylketoneheteroaromatic compoundhydroxy acidamino fatty acidpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
