| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:39 UTC |
|---|
| Update Date | 2025-03-25 00:46:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155040 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H22O7 |
|---|
| Molecular Mass | 350.1366 |
|---|
| SMILES | Cc1ccc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)cc1C |
|---|
| InChI Key | MLNAKTXDKUKQGV-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscinnamic acids and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidestertiary alcoholso-xylenes |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativexylenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideenoate estercyclohexanolhydroxy acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholo-xylenecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidquinic acid |
|---|
