| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:34 UTC |
|---|
| Update Date | 2025-03-25 00:59:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236860 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H14O10 |
|---|
| Molecular Mass | 342.0587 |
|---|
| SMILES | O=C(OC1CC(O)(C(=O)O)OC(O)(C(=O)O)C1)c1ccc(O)cc1 |
|---|
| InChI Key | SMKJRLQDASDGKB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-hydroxybenzoic acid alkyl esters |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidstricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidorganic oxidehemiacetaloxaneorganoheterocyclic compoundpyran carboxylic acid or derivativeshydroxy acidp-hydroxybenzoic acid alkyl esteroxacycleorganic oxygen compoundpyrancarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
|---|
