| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:48 UTC |
|---|
| Update Date | 2025-03-25 01:01:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02248921 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O3 |
|---|
| Molecular Mass | 272.1412 |
|---|
| SMILES | COc1ccc(C(=O)C2=C(C)C=CCC2(C)C)c(O)c1 |
|---|
| InChI Key | IQQMDRQVVFSDQH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl ketonesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsvinylogous acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietyethermethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneketonearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compoundaryl ketone |
|---|
