| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:18:12 UTC |
|---|
| Update Date | 2025-03-25 01:00:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02242862 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O4 |
|---|
| Molecular Mass | 236.1049 |
|---|
| SMILES | C=CC(=O)CCC(O)Cc1cc(O)cc(O)c1 |
|---|
| InChI Key | HBZFZCVBPBEUHQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty alcohols |
|---|
| Direct Parent | fatty alcohols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsbenzene and substituted derivativesenoneshydrocarbon derivativesketonesorganic oxidesresorcinolssecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha,beta-unsaturated ketoneresorcinolketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholphenolhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
|---|
