| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:19 UTC |
|---|
| Update Date | 2025-03-25 00:51:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02186055 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H16O7 |
|---|
| Molecular Mass | 344.0896 |
|---|
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OCCOC(=O)c1ccccc1O |
|---|
| InChI Key | PEMUNJAVQBRZIV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidessalicylic acid and derivativesvinylogous acidso-hydroxybenzoic acid esters |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideenoate esterbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estervinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
