| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:42 UTC |
|---|
| Update Date | 2025-03-21 18:01:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030600 |
|---|
| Frequency | 121.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H25NO3 |
|---|
| Molecular Mass | 279.1834 |
|---|
| SMILES | CN(C)CCCC(O)c1ccc(C(C)(C)C(=O)O)cc1 |
|---|
| InChI Key | CEGPYTKSVCNPID-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 | amino acidsaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanessecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholtertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
