| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:09 UTC |
|---|
| Update Date | 2025-03-21 18:03:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043714 |
|---|
| Frequency | 77.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO3 |
|---|
| Molecular Mass | 207.0895 |
|---|
| SMILES | NC(C(=O)O)C(=O)CCc1ccccc1 |
|---|
| InChI Key | UESKXYMHWMKBHW-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 | 1,3-dicarbonyl compoundsalpha amino acidsamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidcarbonyl groupcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativebeta-keto acidketoneorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
|---|
