| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:08 UTC |
|---|
| Update Date | 2025-03-25 00:57:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02224733 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10N2O |
|---|
| Molecular Mass | 162.0793 |
|---|
| SMILES | Nc1ccc(C2=NCCO2)cc1 |
|---|
| InChI Key | JUTGVXOSFVZIQA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolinesprimary aminespropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundoxacycleoxazolineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganoheterocyclic compoundorganooxygen compound |
|---|
