| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:41 UTC |
|---|
| Update Date | 2025-03-25 00:45:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150384 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H25NO3 |
|---|
| Molecular Mass | 291.1834 |
|---|
| SMILES | COc1ccc(C(C2CCN(C)CC2)C(C)C(=O)O)cc1 |
|---|
| InChI Key | MSGZTJPRRIODLC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylpropanespiperidinestrialkylamines |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativephenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
