EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:147430 - malvidin 3-glucoside-4-vinylguaiacol
| Formula | C32H31O14 |
| Net Charge | +1 |
| Average Mass | 639.586 |
| Monoisotopic Mass | 639.17083 |
| SMILES | COc1cc(C2=Cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4cc(OC)c(O)c(OC)c4)[o+]c4cc(O)cc(c34)O2)ccc1O |
| InChI | InChI=1S/C32H30O14/c1-40-19-6-13(4-5-17(19)35)18-11-16-25-20(43-18)9-15(34)10-21(25)44-30(14-7-22(41-2)26(36)23(8-14)42-3)31(16)46-32-29(39)28(38)27(37)24(12-33)45-32/h4-11,24,27-29,32-33,37-39H,12H2,1-3H3,(H2-,34,35,36)/p+1/t24-,27-,28+,29-,32+/m1/s1 |
| InChIKey | QARRSDFIUQJIHX-QPZIMESWSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Vitis vinifera (ncbitaxon:29760) | Wine (NCIT:C66822) | PubMed (22662221) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| malvidin 3-glucoside-4-vinylguaiacol (CHEBI:147430) has functional parent malvidin (CHEBI:6674) |
| malvidin 3-glucoside-4-vinylguaiacol (CHEBI:147430) has role plant metabolite (CHEBI:76924) |
| malvidin 3-glucoside-4-vinylguaiacol (CHEBI:147430) is a anthocyanin cation (CHEBI:35218) |
| malvidin 3-glucoside-4-vinylguaiacol (CHEBI:147430) is a aromatic ether (CHEBI:35618) |
| malvidin 3-glucoside-4-vinylguaiacol (CHEBI:147430) is a polyphenol (CHEBI:26195) |
| malvidin 3-glucoside-4-vinylguaiacol (CHEBI:147430) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)pyrano[4,3,2-de]chromen-1-ium-3-yl β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| malvidin 3-O-glucoside-4-vinylguaiacol | ChEBI |
| 3,5,7,4'-tetrahydroxy-3',5'-dimethoxyflavylium 3-glucoside-4-vinylguaiacol | LIPID MAPS |
| 3-(β-D-glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium | ChEBI |
| malvidin-3-O-glucoside-4-vinylguaiacol | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMPK12010437 | LIPID MAPS |
| HMDB0039966 | HMDB |
| FDB019633 | FooDB |
| C00011189 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| CAS:388089-40-5 | KNApSAcK |
| Citations |
|---|