| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:19 UTC |
|---|
| Update Date | 2025-03-21 18:07:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067693 |
|---|
| Frequency | 44.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H7F2NO3 |
|---|
| Molecular Mass | 227.0394 |
|---|
| SMILES | O=C(O)c1cc2ccc(OC(F)F)cc2[nH]1 |
|---|
| InChI Key | DCGCXNWVUOOFKH-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 | alkyl fluoridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenol etherspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivatives |
|---|
| Substituents | phenol ethercarboxylic acidindolecarboxylic acid derivativeorganohalogen compoundorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halideindolecarboxylic acid derivativeazacyclealkyl fluorideorganofluorideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
