| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:54 UTC |
|---|
| Update Date | 2025-03-25 00:47:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162212 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O5 |
|---|
| Molecular Mass | 248.0685 |
|---|
| SMILES | O=C(O)CC1CC(=Cc2ccc(O)cc2)C(=O)O1 |
|---|
| InChI Key | FRWUBHFBYNQWQK-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 heteromonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | enoate estermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
