| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:48 UTC |
|---|
| Update Date | 2025-03-21 18:04:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00050036 |
|---|
| Frequency | 65.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H6ClNO2 |
|---|
| Molecular Mass | 195.0087 |
|---|
| SMILES | O=C(O)c1c[nH]c2cc(Cl)ccc12 |
|---|
| InChI Key | WHQHEMBHJZAHSB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indolecarboxylic acids and derivatives |
|---|
| Direct Parent | indolecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acidsvinylogous amides |
|---|
| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativesindoleorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundaryl chlorideindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
|---|
