| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:27 UTC |
|---|
| Update Date | 2025-03-21 18:29:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00075231 |
|---|
| Frequency | 39.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17NO2 |
|---|
| Molecular Mass | 195.1259 |
|---|
| SMILES | CNCCCC(O)c1ccc(O)cc1 |
|---|
| InChI Key | BVYYWRKKCSZWOL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholsecondary aliphatic amine1-hydroxy-2-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
