| Name |
Symplocososide F |
| Formula |
C61H98O21 |
| Mw |
1166.66006019 |
| CAS RN |
819855-89-5 |
| C_ID |
C00043954
, 
|
| InChIKey |
KEDJBUGHODJQAX-ZJVCVBKGNA-N |
| InChICode |
InChI=1S/C61H98O21/c1-12-13-23-75-52(74)49-47(80-53-44(69)42(67)35(28-63)77-53)46(71)48(81-54-45(70)43(68)41(66)34(27-62)76-54)55(82-49)79-38-20-21-58(9)36(57(38,7)8)19-22-59(10)37(58)18-17-32-33-25-56(5,6)26-39(61(33,29-64)51(73)50(72)60(32,59)11)78-40(65)24-31(4)16-14-15-30(2)3/h15,17,24,33-39,41-51,53-55,62-64,66-73H,12-14,16,18-23,25-29H2,1-11H3/b31-24-/t33-,34+,35-,36-,37+,38-,39-,41+,42-,43-,44+,45+,46-,47-,48+,49-,50-,51+,53-,54-,55+,58-,59+,60-,61+/m0/s1 |
| SMILES |
C1[C@]2([C@H](C([C@H](C1)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)CO)O)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO)C(=O)OCCCC)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1([C@H]([C@H]([C@@]1([C@H]2CC(C[C@@H]1OC(=O)/C=C(\CCC=C(C)C)/C)(C)C)CO)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Symplocaceae | Symplocos chinensis | Ref. |
|
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