| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:12 UTC |
|---|
| Update Date | 2025-03-21 18:38:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00122838 |
|---|
| Frequency | 21.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H18O11 |
|---|
| Molecular Mass | 398.0849 |
|---|
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)C(O)CC(O)(C(=O)O)C1C(=O)O |
|---|
| InChI Key | KZPLANWBNFOBNY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | quinic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclohexanolsenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsorganic oxidestertiary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideenoate estercyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidquinic acid |
|---|
