| Name |
Isotubocaposide B |
| Formula |
C42H64O16 |
| Mw |
824.419436 |
| CAS RN |
929701-96-2 |
| C_ID |
C00030551
, 
|
| InChIKey |
BFLFPDNXHIUGOT-OQIOFEQHNA-N |
| InChICode |
InChI=1S/C42H64O16/c1-18(44)54-29-13-20(55-37-35(50)33(48)31(46)28(57-37)17-53-36-34(49)32(47)30(45)27(16-43)56-36)12-19-6-7-21-23-8-9-24(40(23,3)11-10-25(21)41(19,29)4)22-14-39(2)15-26(22)58-38(51)42(39,5)52/h6,20-37,43,45-50,52H,7-17H2,1-5H3/t20-,21+,22+,23+,24-,25+,26-,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37-,39?,40+,41+,42-/m1/s1 |
| SMILES |
CC(=O)O[C@H]1C[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H]5C[C@]6(C)C[C@H]5OC(=O)[C@@]6(C)O)[C@@]4(C)CC[C@@H]3[C@]21C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Tubocapsicum anomalum MAKINO  | Ref. |
|
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