| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:59 UTC |
|---|
| Update Date | 2025-03-25 00:54:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203481 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H18O5 |
|---|
| Molecular Mass | 314.1154 |
|---|
| SMILES | O=C(O)CC(C(=O)CCc1ccc(O)cc1)c1ccc(O)cc1 |
|---|
| InChI Key | IXXXCMXYIVSVBR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativegamma-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativehydroxy fatty acidbenzenoidorganooxygen compoundmedium-chain keto acid |
|---|
