| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:33 UTC |
|---|
| Update Date | 2025-03-25 01:01:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250645 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H18O8 |
|---|
| Molecular Mass | 338.1002 |
|---|
| SMILES | O=C1CCC(CCC(=O)OC(Cc2ccc(O)c(O)c2)C(=O)O)O1 |
|---|
| InChI Key | DTCAWYMTZTTWAU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofuranstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacyclefatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
