| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:46 UTC |
|---|
| Update Date | 2025-03-21 18:06:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00061649 |
|---|
| Frequency | 50.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H28O8 |
|---|
| Molecular Mass | 408.1784 |
|---|
| SMILES | COc1cc(CC2CCC(=O)O2)cc(O)c1OC1OC(C(=O)O)C(C)C(C)C1C |
|---|
| InChI Key | CPFNUNXSSWEVIM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactoneorganic oxideacetaloxaneorganoheterocyclic compoundpyran carboxylic acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundpyrananisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
