| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:29 UTC |
|---|
| Update Date | 2025-03-25 00:57:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02227675 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H16FN3O3 |
|---|
| Molecular Mass | 305.1176 |
|---|
| SMILES | CC(=O)N1CCN(c2cc3c(C(=O)O)c[nH]c3cc2F)CC1 |
|---|
| InChI Key | LXVVVYVLAJEKMI-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 compoundsacetamidesamino acidsaryl fluoridesazacyclic compoundsbenzenoidscarbonyl compoundsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-arylpiperazinesorganic oxidesorganofluoridesorganopnictogen compoundspyrrole carboxylic acidstertiary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | aryl fluoridecarbonyl groupcarboxylic acidpyrrole-3-carboxylic acid or derivativesamino acid or derivativesamino acidindolecarboxylic acid derivativeorganohalogen compoundorganic oxidepiperazinearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compounddialkylarylaminetertiary amineacetamideindolecarboxylic acid derivativevinylogous amideazacycleorganofluorideheteroaromatic compoundcarboxamide grouparyl halidemonocarboxylic acid or derivativesorganic oxygen compound1,4-diazinanepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidaminen-arylpiperazineorganooxygen compound |
|---|
