| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:07 UTC |
|---|
| Update Date | 2025-03-21 18:38:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00120261 |
|---|
| Frequency | 21.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H10ClNO3 |
|---|
| Molecular Mass | 239.0349 |
|---|
| SMILES | O=C(O)C(O)Cc1c[nH]c2cc(Cl)ccc12 |
|---|
| InChI Key | BSBNLUSCGAUCQA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indoles |
|---|
| Direct Parent | indoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidindoleorganochloridealpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundaryl chloridealcoholazacycleheteroaromatic compoundhydroxy acidaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
