Name |
1,2,2'-Trisinapoylgentiobiose |
Formula |
C45H52O23 |
Mw |
960.28993797 |
CAS RN |
155380-01-1 |
C_ID |
C00057919
|
InChIKey |
HVHNDGOZMSAQDC-PKCRMPFFSA-N |
InChICode |
InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+/t30-,31-,38-,39-,40+,41+,42-,43-,44-,45+/m1/s1 |
SMILES |
O[C@H]1[C@H](O)[C@@H](CO[C@H]2[C@H](OC(/C=C/C3=CC(OC)=C(O)C(OC)=C3)=O)[C@@H](O)[C@H](O)[C@@H](CO)O2)O[C@@H](OC(/C=C/C4=CC(OC)=C(O)C(OC)=C4)=O)[C@@H]1OC(/C=C/C5=CC(OC)=C(O)C(OC)=C5)=O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Cruciferae | Brassica oleracea var. italica | Ref. |
|
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