| Name |
Preternatin C4 |
| Formula |
C48H57O29 |
| Mw |
1097.29855086 |
| CAS RN |
215378-83-9 |
| C_ID |
C00014810
, 
|
| InChIKey |
HIBVZPSQZUBJTI-VZDKKTJRNA-O |
| InChICode |
InChI=1S/C48H56O29/c49-12-26-32(56)36(60)40(64)45(74-26)69-19-4-1-16(2-5-19)3-6-30(54)68-15-29-35(59)39(63)43(67)47(77-29)72-24-8-17(7-23(31(24)55)71-46-41(65)37(61)33(57)27(13-50)75-46)44-25(11-20-21(53)9-18(52)10-22(20)70-44)73-48-42(66)38(62)34(58)28(14-51)76-48/h1-11,26-29,32-43,45-51,56-67H,12-15H2,(H2-,52,53,55)/p+1/b6-3+/t26-,27-,28-,29-,32-,33-,34-,35-,36+,37+,38+,39+,40-,41+,42-,43-,45-,46-,47-,48-/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Clitoria ternatea  | Ref. |
|
|
zoom in
| Organism | Clitoria ternatea |
|---|
| Reference | Terahara,J.Nat.Prod.,61,(1998),1361 |
|---|
|
