| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:48 UTC |
|---|
| Update Date | 2025-03-25 00:55:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214751 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H14O3 |
|---|
| Molecular Mass | 218.0943 |
|---|
| SMILES | CC=CC(=O)CC(=O)Cc1cccc(O)c1 |
|---|
| InChI Key | NMCGPEJOMKBWQO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsbenzene and substituted derivativesenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
|---|
