| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:19 UTC |
|---|
| Update Date | 2025-03-21 18:37:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115942 |
|---|
| Frequency | 22.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H21NO3 |
|---|
| Molecular Mass | 251.1521 |
|---|
| SMILES | CN(C)CCCC(O)(CC(=O)O)c1ccccc1 |
|---|
| InChI Key | VXZGNXYZECTEQU-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 acidsamino fatty acidsaromatic alcoholscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidstertiary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholfatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidtertiary aminealcoholtertiary aliphatic amineamino fatty acidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
