| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:34 UTC |
|---|
| Update Date | 2025-03-21 17:58:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012149 |
|---|
| Frequency | 375.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO2 |
|---|
| Molecular Mass | 167.0946 |
|---|
| SMILES | NCCC(O)c1cccc(O)c1 |
|---|
| InChI Key | KZBMBOHJKGVYBS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
