| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:42 UTC |
|---|
| Update Date | 2025-03-25 00:53:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200603 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H20O8 |
|---|
| Molecular Mass | 400.1158 |
|---|
| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(OCC4CCC(=O)O4)cc3O2)cc1O |
|---|
| InChI Key | ZABICLNTQULWTE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | o-methylated flavonoids |
|---|
| Direct Parent | 4'-o-methylated flavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids5-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketonescarboxylic acid esterschromonesflavanonesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofuransvinylogous acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketonelactoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyrantetrahydrofuran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidgamma butyrolactoneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid ester4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
|---|
