| Name |
Petunidin 3-O-[6-O-(4-O-(E)-caffeoyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside |
| Formula |
C43H49O24 |
| Mw |
949.2613775 |
| CAS RN |
232617-23-1 |
| C_ID |
C00014855
, 
|
| InChIKey |
JUOSIPJKJLUJCA-KYYOKLPJNA-O |
| InChICode |
InChI=1S/C43H48O24/c1-15-39(67-29(49)6-4-16-3-5-20(46)21(47)7-16)35(55)38(58)41(61-15)60-14-28-32(52)34(54)37(57)43(66-28)64-26-12-19-23(62-40(26)17-8-22(48)30(50)25(9-17)59-2)10-18(45)11-24(19)63-42-36(56)33(53)31(51)27(13-44)65-42/h3-12,15,27-28,31-39,41-44,51-58H,13-14H2,1-2H3,(H4-,45,46,47,48,49,50)/p+1/t15-,27+,28-,31-,32-,33-,34-,35-,36+,37-,38-,39-,41+,42+,43+/m0/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O)cc(O)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Solanum tuberosum  | Ref. |
|
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