| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:17 UTC |
|---|
| Update Date | 2025-03-25 00:48:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02167690 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C30H38N2O6 |
|---|
| Molecular Mass | 522.273 |
|---|
| SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(C(C)C)n(CCC(O)CC(O)CC(=O)O)c1-c1ccccc1O |
|---|
| InChI Key | JJYISGUFEPIISR-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsamino fatty acidsazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidsubstituted pyrrolecarboxylic acid derivativemedium-chain hydroxy acidaromatic anilidebeta-hydroxy acidorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
