| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:52 UTC |
|---|
| Update Date | 2025-03-25 00:50:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178252 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H26O10 |
|---|
| Molecular Mass | 414.1526 |
|---|
| SMILES | COC(=O)C1(O)CC(O)C(O)C(OC(=O)CCC(O)Cc2ccc(O)c(O)c2)C1 |
|---|
| InChI Key | ZIENYMAJTJHXHN-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 benzenoidsbenzene and substituted derivativescarbonyl compoundscyclohexanolsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersorganic oxidestertiary alcohols |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidemethyl estercyclohexanol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid estertertiary alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidquinic acid |
|---|
