| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:29 UTC |
|---|
| Update Date | 2025-03-25 00:45:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02152267 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14N2O4 |
|---|
| Molecular Mass | 202.0954 |
|---|
| SMILES | C=CCCC(O)CCC(O)=N[N+](=O)[O-] |
|---|
| InChI Key | ROLWGRWENGAADE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | secondary alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic nitro compoundsorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundorganic oxideorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic hyponitrite |
|---|
