| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:57 UTC |
|---|
| Update Date | 2025-03-25 00:53:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201180 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H20O4 |
|---|
| Molecular Mass | 336.1362 |
|---|
| SMILES | COc1cc(C=C2CCCC(=Cc3ccc(O)cc3)C2=O)ccc1O |
|---|
| InChI Key | KKJWBHNEOMWQAP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | diarylheptanoids |
|---|
| Subclass | linear diarylheptanoids |
|---|
| Direct Parent | linear diarylheptanoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescyclic ketoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethermethoxybenzeneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolephenollinear 1,7-diphenylheptane skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
