| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:43 UTC |
|---|
| Update Date | 2025-03-21 18:32:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00090082 |
|---|
| Frequency | 31.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10N2O2 |
|---|
| Molecular Mass | 190.0742 |
|---|
| SMILES | COc1ccc2[nH]cc(C(N)=O)c2c1 |
|---|
| InChI Key | BCDSLBHNHVSUDN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indolecarboxylic acids and derivatives |
|---|
| Direct Parent | indolecarboxamides and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrole carboxamidesvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidephenol etheretherindolecarboxamide derivativepyrrole-3-carboxylic acid or derivativesindolealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundcarboxamide grouporganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
