| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:19 UTC |
|---|
| Update Date | 2025-03-25 00:45:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151861 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H18N2O3 |
|---|
| Molecular Mass | 298.1317 |
|---|
| SMILES | NC(CCCCN1C(=O)c2cccc3cccc1c23)C(=O)O |
|---|
| InChI Key | ACPWFAATFYBDSK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoindoles and derivatives |
|---|
| Subclass | isoindolines |
|---|
| Direct Parent | isoindolones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesindolesisoindoleslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
|---|
| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidindolefatty acidalpha-amino acid or derivativescarboxylic acid derivativeisoindoloneorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidazacycleisoindoleindole or derivativescarboxamide groupamino fatty acidmonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
