| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 10:51:35 UTC |
|---|
| Update Date | 2025-03-24 20:55:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01613133 |
|---|
| Frequency | 0.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H4ClNO2 |
|---|
| Molecular Mass | 144.9931 |
|---|
| SMILES | O=C(O)c1cc[nH]c1Cl |
|---|
| InChI Key | BMSIGTQRXCPNPP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrroles |
|---|
| Subclass | pyrrole carboxylic acids and derivatives |
|---|
| Direct Parent | pyrrole carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amidesvinylogous halides |
|---|
| Substituents | aryl chloridevinylogous amidecarboxylic acidaromatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundcarboxylic acid derivativeorganohalogen compoundvinylogous halidearyl halideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
|---|
