| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:53 UTC |
|---|
| Update Date | 2025-03-25 01:02:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02253643 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H18O8 |
|---|
| Molecular Mass | 338.1002 |
|---|
| SMILES | O=C(CCc1ccc(O)c(O)c1)OC1C=C(C(=O)O)CC(O)C1O |
|---|
| InChI Key | LMDCQLDGWASPMI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | fatty acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound1,2-diol |
|---|
