| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:37 UTC |
|---|
| Update Date | 2025-03-21 18:05:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00056484 |
|---|
| Frequency | 56.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11NO5 |
|---|
| Molecular Mass | 213.0637 |
|---|
| SMILES | O=Cc1ccc(CO)n1CC(O)C(=O)O |
|---|
| InChI Key | ILALYSNTPJSTET-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl-aldehydes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
|---|
| Substituents | aromatic alcoholcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidsubstituted pyrrolecarboxylic acid derivativeorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativespyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
|---|
