| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:38 UTC |
|---|
| Update Date | 2025-03-21 18:32:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00092307 |
|---|
| Frequency | 30.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H22O6 |
|---|
| Molecular Mass | 334.1416 |
|---|
| SMILES | CC1C(Oc2ccc(C=CC(=O)O)cc2)OC(C(=O)O)C(C)C1C |
|---|
| InChI Key | MQEFYWNRTYGAFX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | cinnamic acids and derivatives |
|---|
| Direct Parent | cinnamic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesaromatic heteromonocyclic compoundcarboxylic acid derivativepyran carboxylic acidoxacyclecinnamic acid or derivativesorganic oxideorganic oxygen compoundacetalpyrandicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
|---|
