| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:26 UTC |
|---|
| Update Date | 2025-03-25 00:59:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236573 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H13NO2 |
|---|
| Molecular Mass | 155.0946 |
|---|
| SMILES | OCC(CO)Cc1ccc[nH]1 |
|---|
| InChI Key | OWENFANWCSZYAX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | heteroaromatic compounds |
|---|
| Subclass | heteroaromatic compounds |
|---|
| Direct Parent | heteroaromatic compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrroles |
|---|
| Substituents | alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound |
|---|
