| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:36 UTC |
|---|
| Update Date | 2025-03-25 00:59:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02239165 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17N3O2 |
|---|
| Molecular Mass | 223.1321 |
|---|
| SMILES | NC(=O)NCCCC(O)c1ccc(N)cc1 |
|---|
| InChI Key | VCTDJQPDMASCRR-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 | aromatic alcoholscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholcarbonyl groupcarbonic acid derivativearomatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
