| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 16:16:32 UTC |
|---|
| Update Date | 2025-03-25 01:22:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02377129 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO2 |
|---|
| Molecular Mass | 137.0477 |
|---|
| SMILES | C=C1NC=CC=C1C(=O)O |
|---|
| InChI Key | PVQUIHOGBXJKIO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | hydropyridines |
|---|
| Direct Parent | dihydropyridines |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
|---|
| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidsecondary aminecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compounddihydropyridineorganooxygen compoundamine |
|---|
