| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:29 UTC |
|---|
| Update Date | 2025-03-21 18:31:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00087191 |
|---|
| Frequency | 32.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO3 |
|---|
| Molecular Mass | 209.1052 |
|---|
| SMILES | COc1cc(CC(N)C(C)=O)ccc1O |
|---|
| InChI Key | LBRALORZPJCDIS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenethylamines |
|---|
| Direct Parent | methoxylated amphetamines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesketonesmethoxybenzenesmethoxyphenolsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
|---|
| Substituents | phenol ethercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxideorganonitrogen compoundorganopnictogen compoundmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolephenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
