| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:43 UTC |
|---|
| Update Date | 2025-03-21 18:34:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00099792 |
|---|
| Frequency | 27.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22NO6+ |
|---|
| Molecular Mass | 324.1442 |
|---|
| SMILES | C[N+](C)(C)CC(CC(=O)O)OC(=O)C=Cc1ccc(O)c(O)c1 |
|---|
| InChI Key | JTFGYAHXTIRBTC-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | acyl carnitines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaminesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estershydrocarbon derivativeshydroxycinnamic acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltenoate estertetraalkylammonium saltquaternary ammonium salt1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundacyl-carnitineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
