| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:52 UTC |
|---|
| Update Date | 2025-03-21 18:37:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00114897 |
|---|
| Frequency | 22.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H3N3O2 |
|---|
| Molecular Mass | 185.0225 |
|---|
| SMILES | N#Cc1cc(O)c(C#N)c(O)c1C#N |
|---|
| InChI Key | FCVAIUJPYLSXLA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenediols |
|---|
| Direct Parent | resorcinols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzonitrileshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | monocyclic benzene moietynitrile1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidbenzonitrileresorcinolaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
|---|
