| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:05 UTC |
|---|
| Update Date | 2025-03-25 01:01:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249588 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C29H28FN3O4 |
|---|
| Molecular Mass | 501.2064 |
|---|
| SMILES | Cc1c(C(O)=Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCCC(N)C(=O)O |
|---|
| InChI Key | CAUUFLJGSYHOGA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl fluoridesazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssubstituted pyrroles |
|---|
| Substituents | aryl fluoridecarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidsubstituted pyrroleorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundfluorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleorganofluorideheteroaromatic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
