| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:59 UTC |
|---|
| Update Date | 2025-03-25 00:48:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02167058 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H15NO3 |
|---|
| Molecular Mass | 245.1052 |
|---|
| SMILES | CC(C(=O)O)c1ccc(C(O)c2ccc[nH]2)cc1 |
|---|
| InChI Key | PPJYYRDEQFCBHX-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 | aromatic alcoholsaromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
|---|
| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
|---|
