| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:06 UTC |
|---|
| Update Date | 2025-03-21 18:41:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00132056 |
|---|
| Frequency | 19.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22O9 |
|---|
| Molecular Mass | 370.1264 |
|---|
| SMILES | COc1cc(CCC(=O)O)ccc1OC1CC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | LBCONYHPIYMVOI-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 ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidealcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
