| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:27 UTC |
|---|
| Update Date | 2025-03-25 00:59:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236621 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO2 |
|---|
| Molecular Mass | 205.1103 |
|---|
| SMILES | COc1cc(C=C2CCNC2)ccc1O |
|---|
| InChI Key | BUISLAUMECZCOH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsdialkylamineshydrocarbon derivativesmethoxybenzenesorganopnictogen compoundsphenoxy compoundspyrrolidines |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary aminemethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
|---|
