| Name |
Petanin
Petunidin 3-O-[6-O-(4-O-(E)-p-coumaroyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside |
| Formula |
C43H49O23 |
| Mw |
933.26646288 |
| CAS RN |
69915-09-9 |
| C_ID |
C00006900
, 
|
| InChIKey |
BXEZTCOKOLHMKY-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1/t16-,27-,28+,31-,32-,33-,34+,35+,36+,37+,38-,39-,41+,42+,43+/m0/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)OC(=O)/C=C/c1ccc(cc1)O)O)O)O)O)O)c1cc(c(c(c1)OC)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Iridaceae | Iris spp. | Ref. |
| Plantae | Solanaceae | Petunia x hybrida | Ref. |
| Plantae | Solanaceae | Solanum lycopersicum  | Ref. |
| Plantae | Solanaceae | Solanum nigrum | Ref. |
| Plantae | Solanaceae | Solanum spp. | Ref. |
| Plantae | Solanaceae | Solanum tuberosum | Ref. |
|
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