| Name |
Ternatin C3 |
| Formula |
C45H49O27 |
| Mw |
1021.24612137 |
| CAS RN |
215378-76-0 |
| C_ID |
C00014806
, 
|
| InChIKey |
HRUUEDKBMVPXJT-SCAKWCLINA-O |
| InChICode |
InChI=1S/C45H48O27/c46-13-26-33(55)36(58)39(61)43(70-26)67-23-7-17(8-24(32(23)54)68-44-40(62)37(59)34(56)27(71-44)14-64-30(52)6-3-16-1-4-18(47)5-2-16)42-25(11-20-21(49)9-19(48)10-22(20)66-42)69-45-41(63)38(60)35(57)28(72-45)15-65-31(53)12-29(50)51/h1-11,26-28,33-41,43-46,55-63H,12-15H2,(H4-,47,48,49,50,51,52,54)/p+1/t26-,27+,28+,33+,34+,35+,36-,37-,38-,39-,40+,41+,43+,44+,45+/m0/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)c1cc(c(c(c1)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Clitoria ternatea  | Ref. |
|
|
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