| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:51 UTC |
|---|
| Update Date | 2025-03-25 00:53:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200941 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H21NO5 |
|---|
| Molecular Mass | 331.142 |
|---|
| SMILES | COc1cc(CC(CN)(Cc2cccc(O)c2)C(=O)O)ccc1O |
|---|
| InChI Key | YRHHPWWIBIQTDX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | linear 1,3-diarylpropanoids |
|---|
| Subclass | cinnamylphenols |
|---|
| Direct Parent | cinnamylphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbeta amino acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcinnamylphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzenebeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
