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CHEBI:177075 - Peonidin-3,5-O-di-beta-glucopyranoside
| Formula | C28H33O16 |
| Net Charge | +1 |
| Average Mass | 625.556 |
| Monoisotopic Mass | 625.17631 |
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChI | InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32)/p+1/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-/m1/s1 |
| InChIKey | IPVSUYLZIAYTOK-DPOJTEBASA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Peonidin-3,5-O-di-beta-glucopyranoside (CHEBI:177075) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| 4589999 | ChemSpider |