| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:51:22 UTC |
|---|
| Update Date | 2025-03-21 18:03:01 UTC |
|---|
| HMDB ID | HMDB0133340 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041769 |
|---|
| Name | 6-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
|---|
| Frequency | 82.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H20O12 |
|---|
| Molecular Mass | 476.0955 |
|---|
| SMILES | COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | VATVKLJSQQBZTF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavonoid glycosides |
|---|
| Direct Parent | flavonoid o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-o-methylated flavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acidflavonoid-3p-o-glucuronide1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneoxaneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidmethoxybenzenevinylogous acidanisole7-hydroxyflavonoid4p-methoxyflavonoid-skeletonhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundpyranonepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
|---|
