| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:34 UTC |
|---|
| Update Date | 2025-03-25 00:46:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154849 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H18O5 |
|---|
| Molecular Mass | 314.1154 |
|---|
| SMILES | COc1ccc(C(O)=CC(=O)CCc2ccc(O)cc2)cc1O |
|---|
| InChI Key | XTTIWYROAUHLCE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesenoneshydrocarbon derivativesketonesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsvinylogous acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketoneketoneorganic oxideenone1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
|---|
