| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:27 UTC |
|---|
| Update Date | 2025-03-21 17:59:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018542 |
|---|
| Frequency | 223.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H15NO2 |
|---|
| Molecular Mass | 181.1103 |
|---|
| SMILES | NC(Cc1ccccc1)C(O)CO |
|---|
| InChI Key | YXQDBEZPBMCYAI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenethylamines |
|---|
| Direct Parent | amphetamines and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsbenzene and substituted derivativeshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundprimary alcoholorganooxygen compoundamphetamine or derivatives1,2-diol |
|---|
