| Name |
Bethoside A
(-)-Bethoside A |
| Formula |
C56H88O28 |
| Mw |
1208.54621223 |
| CAS RN |
1142859-74-2 |
| C_ID |
C00048332
, 
|
| InChIKey |
GODIKXBJQWKTBT-KWVZSSCXNA-N |
| InChICode |
InChI=1S/C56H88O28/c1-18-16-74-56(48(72)44(18)80-52-43(71)39(67)45(21(4)77-52)81-50-41(69)37(65)33(61)19(2)75-50)27(14-57)32-29(84-56)13-26-24-8-7-22-11-23(59)12-31(55(22,6)25(24)9-10-54(26,32)5)79-53-47(83-51-42(70)38(66)34(62)20(3)76-51)46(36(64)30(15-58)78-53)82-49-40(68)35(63)28(60)17-73-49/h7,19-21,23-53,57-72H,1,8-17H2,2-6H3/t19-,20-,21+,23+,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,38+,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 |
| SMILES |
C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@H]1[C@H](C3)O[C@]3([C@H]1CO)OCC(=C)[C@@H]([C@@H]3O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C)CC=C1[C@@]2([C@@H](C[C@@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Beta vulgaris  | Ref. |
|
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