| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 12:52:16 UTC |
|---|
| Update Date | 2025-03-24 21:49:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01900984 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9NO2 |
|---|
| Molecular Mass | 127.0633 |
|---|
| SMILES | OCC(O)C1C=CC=N1 |
|---|
| InChI Key | REIHYJZYHOOXFD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | 1,2-diols |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundshydrocarbon derivativesiminesorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
|---|
| Substituents | azacycleimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganoheterocyclic compound1,2-diol |
|---|
