| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:52 UTC |
|---|
| Update Date | 2025-03-25 00:51:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02189647 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H31FN2O6 |
|---|
| Molecular Mass | 498.2166 |
|---|
| SMILES | CC(C)c1c(C(N)=O)c(-c2ccccc2O)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
|---|
| InChI Key | ZZOKNBYSTWJZAM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrole carboxamidessecondary alcoholssubstituted pyrrolesvinylogous amides |
|---|
| Substituents | aryl fluorideprimary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacycleorganofluorideheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparyl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
