| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:40 UTC |
|---|
| Update Date | 2025-03-25 00:45:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150347 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11NO5 |
|---|
| Molecular Mass | 237.0637 |
|---|
| SMILES | O=C(O)C1C(O)c2ccccc2CN1C(=O)O |
|---|
| InChI Key | WABGMGYGSNQPMC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | tetrahydroisoquinolines |
|---|
| Direct Parent | tetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbamic acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidcarbamic acidalpha-amino acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundalcoholcarbonic acid derivativeazacyclehydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
