| Name |
Cyanidin 3-(6,6'-disinapoylsophoroside) 5-glucoside |
| Formula |
C55H61O29 |
| Mw |
1185.32985099 |
| CAS RN |
185044-09-1 |
| C_ID |
C00054551
|
| InChIKey |
FJDJRFBMPOVWCH-MZRBAQIQSA-O |
| InChICode |
InChI=1S/C55H60O29/c1-72-31-11-22(12-32(73-2)42(31)62)5-9-40(60)76-21-39-47(67)50(70)53(78-35-19-36(45(65)48(68)44(35)64)83-84-41(61)10-6-23-13-33(74-3)43(63)34(14-23)75-4)55(82-39)80-37-18-26-29(77-52(37)24-7-8-27(58)28(59)15-24)16-25(57)17-30(26)79-54-51(71)49(69)46(66)38(20-56)81-54/h5-18,35-36,38-39,44-51,53-56,64-71H,19-21H2,1-4H3,(H4-,57,58,59,60,61,62,63)/p+1/t35-,36+,38-,39-,44+,45-,46-,47-,48-,49+,50+,51-,53-,54-,55-/m1/s1 |
| SMILES |
OC1=C(OC)C=C(/C=C/C(OC[C@H]2O[C@@H](OC3=CC(C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C5)=C5[O+]=C3C6=CC(O)=C(O)C=C6)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](OOC(/C=C/C8=CC(OC)=C(O)C(OC)=C8)=O)C7)[C@@H](O)[C@@H]2O)=O)C=C1OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
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