| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:28 UTC |
|---|
| Update Date | 2025-03-21 18:35:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00106580 |
|---|
| Frequency | 25.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17NO3 |
|---|
| Molecular Mass | 211.1208 |
|---|
| SMILES | COc1cc(C(O)CCCN)ccc1O |
|---|
| InChI Key | NIQQVYHLUXBNEV-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 benzenoidsalkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholphenol etherether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundanisoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
