| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:07 UTC |
|---|
| Update Date | 2025-03-21 18:00:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00029267 |
|---|
| Frequency | 127.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H22O6 |
|---|
| Molecular Mass | 358.1416 |
|---|
| SMILES | COc1cc(CCC(=O)CC(=O)CCc2cc(O)cc(O)c2)ccc1O |
|---|
| InChI Key | GQZAELXTKRWZRZ-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesgingerdioneshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compoundsresorcinols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethergingerdione1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneresorcinolketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolelinear 1,7-diphenylheptane skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
