| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:54 UTC |
|---|
| Update Date | 2025-03-25 00:53:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203288 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H11NO5 |
|---|
| Molecular Mass | 261.0637 |
|---|
| SMILES | O=C(O)CCC(=O)OC(=O)c1c[nH]c2ccccc12 |
|---|
| InChI Key | XUQYIBYXHJOJDW-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid anhydridescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativestricarboxylic acids and derivativesvinylogous amides |
|---|
| Substituents | indolecarboxylic acid derivativevinylogous amidecarbonyl groupcarboxylic acidazacyclepyrrole-3-carboxylic acid or derivativesindoleheteroaromatic compoundtricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundcarboxylic acid anhydrideorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
