| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:26 UTC |
|---|
| Update Date | 2025-03-25 00:56:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220888 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O4 |
|---|
| Molecular Mass | 208.0736 |
|---|
| SMILES | O=C1CC(O)C(O)C(c2ccccc2)O1 |
|---|
| InChI Key | DYUHYHLGKQFXLY-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 | 1,2-diolsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compounddelta valerolactonemonosaccharidecarboxylic acid derivativeoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganooxygen compound1,2-diol |
|---|
