| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:49 UTC |
|---|
| Update Date | 2025-03-25 00:54:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207684 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H17NO7 |
|---|
| Molecular Mass | 335.1005 |
|---|
| SMILES | O=C(CCC(O)C(=O)O)OC(Cc1c[nH]c2ccccc12)C(=O)O |
|---|
| InChI Key | TWNAACYAACTCAD-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 derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidindolealpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundhydroxy acidfatty acid esterorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
