| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:33 UTC |
|---|
| Update Date | 2025-03-25 00:54:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207051 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H12N2O3 |
|---|
| Molecular Mass | 256.0848 |
|---|
| SMILES | O=C(O)C1=CC(=C2NCCc3ccccc32)C(=O)N1 |
|---|
| InChI Key | BNONXCMGGCYKIO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | tetrahydroisoquinolines |
|---|
| Direct Parent | tetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrroline 2-carboxylic acidssecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundvinylogous amidesecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativessecondary aminecarboxamide grouppyrroline 2-carboxylic acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
