| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-21 00:08:02 UTC |
|---|
| Update Date | 2025-03-21 18:30:13 UTC |
|---|
| HMDB ID | HMDB0127510 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00081494 |
|---|
| Name | 6-{[3,5-dihydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid |
|---|
| Frequency | 35.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H22O12 |
|---|
| Molecular Mass | 478.1111 |
|---|
| SMILES | COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3C(=O)C2O)cc1 |
|---|
| InChI Key | YDZHURLMNKYCJD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavonoid glycosides |
|---|
| Direct Parent | flavonoid-7-o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-hydroxyflavonoids4'-o-methylated flavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonesflavanonolsflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholsvinylogous acids |
|---|
| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarboxylic acidaryl alkyl ketone1-benzopyranflavanoneo-glucuronidemonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneoxaneorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidflavanonolmethoxybenzenevinylogous acidanisole4p-methoxyflavonoid-skeletonhydrocarbon derivativephenoxy compoundaryl ketonecarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromaneflavonoid-7-o-glycosidepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcoholbenzenoidorganooxygen compound |
|---|
