| Name |
Symplocososide O
(-)-Symplocososide O |
| Formula |
C59H92O22 |
| Mw |
1152.60802463 |
| CAS RN |
918300-72-8 |
| C_ID |
C00041906
, 
|
| InChIKey |
KQRCDMCWOCFTFN-HIUALFOANA-N |
| InChICode |
InChI=1S/C59H92O22/c1-27(2)13-12-14-28(3)21-38(64)77-37-23-54(5,6)22-31-30-15-16-35-56(9)19-18-36(55(7,8)34(56)17-20-57(35,10)58(30,11)48(70)49(71)59(31,37)26-62)78-53-47(81-52-43(69)41(67)39(65)32(24-60)75-52)45(74-29(4)63)44(46(80-53)50(72)73)79-51-42(68)40(66)33(25-61)76-51/h13,15,21,31-37,39-49,51-53,60-62,65-71H,12,14,16-20,22-26H2,1-11H3,(H,72,73)/b28-21-/t31-,32+,33-,34-,35+,36-,37-,39+,40-,41-,42+,43+,44-,45-,46-,47+,48-,49+,51-,52-,53+,56-,57+,58-,59+/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)OC(=O)C)O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO)C(=O)O)(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. |
|
|
zoom in
|
