| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:22 UTC |
|---|
| Update Date | 2025-03-25 00:56:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220729 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H15NO4 |
|---|
| Molecular Mass | 261.1001 |
|---|
| SMILES | O=C(O)CCCCc1c[nH]c2ccc(C(=O)O)cc12 |
|---|
| InChI Key | CAXHIKKJVBFNSK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indolecarboxylic acids and derivatives |
|---|
| Direct Parent | indolecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolefatty acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidazacycleheteroaromatic compoundamino fatty acidorganic oxygen compoundindolecarboxylic acidpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
