| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:14 UTC |
|---|
| Update Date | 2025-03-25 00:45:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02149311 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H14O5 |
|---|
| Molecular Mass | 250.0841 |
|---|
| SMILES | O=C(O)CC1OCC(Cc2cccc(O)c2)C1=O |
|---|
| InChI Key | GBXMLNHTIRAQHG-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 | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarboxylic acidscyclic ketonesdialkyl ethersfuranoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativedialkyl etherketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative3-furanoneorganoheterocyclic compoundorganooxygen compound |
|---|
