| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:32 UTC |
|---|
| Update Date | 2025-03-21 18:38:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00118909 |
|---|
| Frequency | 21.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H20O5 |
|---|
| Molecular Mass | 316.1311 |
|---|
| SMILES | O=C(O)CC(c1cccc(O)c1)C(CO)Cc1cccc(O)c1 |
|---|
| InChI Key | MRDMVUGTQRIKRA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lignans, neolignans and related compounds |
|---|
| Class | Not Available |
|---|
| Subclass | lignans, neolignans and related compounds |
|---|
| Direct Parent | lignans, neolignans and related compounds |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidscinnamylphenolshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanoic acidsprimary alcohols |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidfatty acidcinnamylphenolnorlignan skeletoncarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidprimary alcoholalcohollinear 1,3-diarylpropanoid1-hydroxy-4-unsubstituted benzenoidbranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
