| 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 | DMID02200933 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H22O8 |
|---|
| Molecular Mass | 378.1315 |
|---|
| SMILES | COc1cc(CC(CO)C(O)(Cc2ccc(O)c(O)c2)C(=O)O)ccc1O |
|---|
| InChI Key | URPIGDMBJAYEFX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lignans, neolignans and related compounds |
|---|
| Class | dibenzylbutane lignans |
|---|
| Subclass | dibenzylbutane lignans |
|---|
| Direct Parent | dibenzylbutane lignans |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acidsprimary alcoholstertiary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativedibenzylbutane lignan skeletonorganic oxideprimary alcoholalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
