| Name |
Saniculasaponin I |
| Formula |
C55H86O24 |
| Mw |
1130.55090368 |
| CAS RN |
675830-85-0 |
| C_ID |
C00043886
, 
|
| InChIKey |
SGHWMCWHIBRNFH-NJXBYPQGNA-N |
| InChICode |
InChI=1S/C55H86O24/c1-11-22(2)46(71)79-44-43(72-23(3)59)50(4,5)18-25-24-12-13-29-52(8)16-15-30(51(6,7)28(52)14-17-53(29,9)54(24,10)41(67)42(68)55(25,44)21-58)75-49-40(78-48-36(65)34(63)32(61)27(20-57)74-48)38(37(66)39(77-49)45(69)70)76-47-35(64)33(62)31(60)26(19-56)73-47/h11-12,25-44,47-49,56-58,60-68H,13-21H2,1-10H3,(H,69,70)/b22-11-/t25-,26+,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43-,44-,47-,48-,49+,52-,53+,54-,55-/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[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)C(=O)O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1([C@H]([C@H]([C@@]1([C@H]2CC([C@H]([C@@H]1OC(=O)/C(=C\C)/C)OC(=O)C)(C)C)CO)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Sanicula elata var.chinensis Makino  | Ref. |
|
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