| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:53 UTC |
|---|
| Update Date | 2025-03-21 17:59:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00021751 |
|---|
| Frequency | 183.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11NO3 |
|---|
| Molecular Mass | 193.0739 |
|---|
| SMILES | COc1ccc2c(c1)CC(C(=O)O)N2 |
|---|
| InChI Key | CCZRDJIWJYSWCN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indolecarboxylic acids and derivatives |
|---|
| Direct Parent | indolecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalpha amino acidsamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindoleazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundanisoleindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
