| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:15 UTC |
|---|
| Update Date | 2025-03-21 18:34:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00101104 |
|---|
| Frequency | 27.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C31H32N2O5 |
|---|
| Molecular Mass | 512.2311 |
|---|
| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccccc2)n1CCC(O)CC(=O)O |
|---|
| InChI Key | OIKBXWGLAOSKNT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | anilides |
|---|
| Direct Parent | aromatic anilides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivatives1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativearomatic anilidebeta-hydroxy acidorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
