| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:23:03 UTC |
|---|
| Update Date | 2025-03-25 01:02:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02254009 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22O9 |
|---|
| Molecular Mass | 370.1264 |
|---|
| SMILES | CC(Cc1ccc(OC2C(O)C(O)C(O)C(O)C2C(=O)O)cc1)C(=O)O |
|---|
| InChI Key | AKFUITMOSAKHJM-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 | alkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundsphenylpropanes |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativephenylpropanebeta-hydroxy acidorganic oxidealcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
