| Name |
Rubrobrassicin
Pelargonidin-3-sophoroside-5-glucoside |
| Formula |
C33H41O20 |
| Mw |
757.21911875 |
| CAS RN |
75093-88-8 |
| C_ID |
C00006647
, 
|
| InChIKey |
XPMFXZDODDEKIK-XPIYMGPJNA-O |
| InChICode |
InChI=1S/C33H40O20/c34-8-18-21(39)24(42)27(45)31(50-18)48-16-6-13(38)5-15-14(16)7-17(29(47-15)11-1-3-12(37)4-2-11)49-33-30(26(44)23(41)20(10-36)52-33)53-32-28(46)25(43)22(40)19(9-35)51-32/h1-7,18-28,30-36,39-46H,8-10H2,(H-,37,38)/p+1/t18-,19+,20-,21+,22+,23+,24-,25-,26-,27-,28+,30-,31+,32-,33+/m0/s1 |
| SMILES |
OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
| Plantae | Cruciferae | Raphanus sativus | Ref. |
| Plantae | Iridaceae | Gladiolus gandavensis | Ref. |
| Plantae | Orchidaceae | Broughtonia sp. | Ref. |
| Plantae | Papaveraceae | Papaver spp. | Ref. |
|
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