| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:25 UTC |
|---|
| Update Date | 2025-03-21 18:37:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00116186 |
|---|
| Frequency | 22.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H24NO6+ |
|---|
| Molecular Mass | 338.1598 |
|---|
| SMILES | COc1cc(C=CC(=O)OC(CC(=O)O)C[N+](C)(C)C)ccc1O |
|---|
| InChI Key | KTVJIVAVRXOCQA-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 benzenoidsalkyl aryl ethersaminesanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estershydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltenoate estertetraalkylammonium saltquaternary ammonium saltmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundacyl-carnitineorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
