| Name |
Isotubocaposide A |
| Formula |
C48H74O21 |
| Mw |
986.47225943 |
| CAS RN |
929701-94-0 |
| C_ID |
C00030550
, 
|
| InChIKey |
VSRLPQJDNWRLET-CZXOLZSHNA-N |
| InChICode |
InChI=1S/C48H74O21/c1-19(51)63-31-13-21(12-20-6-7-22-24-8-9-25(46(24,3)11-10-26(22)47(20,31)4)23-14-45(2)15-27(23)68-44(60)48(45,5)61)64-43-40(69-42-39(59)36(56)33(53)29(17-50)66-42)37(57)34(54)30(67-43)18-62-41-38(58)35(55)32(52)28(16-49)65-41/h6,21-43,49-50,52-59,61H,7-18H2,1-5H3/t21-,22+,23+,24+,25-,26+,27?,28-,29-,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43-,45-,46+,47+,48-/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[C@@H]2O[C@H](CO)[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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