| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:03 UTC |
|---|
| Update Date | 2025-03-21 18:02:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041038 |
|---|
| Frequency | 83.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O3 |
|---|
| Molecular Mass | 206.0943 |
|---|
| SMILES | O=C1CCCC(Cc2cccc(O)c2)O1 |
|---|
| InChI Key | GZCZUWPQIGTJMZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | delta valerolactones |
|---|
| Direct Parent | delta valerolactones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganooxygen compound |
|---|
