| Name |
Scabrioside A
(-)-Scabrioside A |
| Formula |
C47H76O18 |
| Mw |
928.50316563 |
| CAS RN |
199998-33-9 |
| C_ID |
C00044304
, 
|
| InChIKey |
BEMRUONOHRZGOZ-BKHFANJWNA-N |
| InChICode |
InChI=1S/C47H76O18/c1-21-10-15-47(41(58)65-40-36(57)33(54)31(52)25(63-40)20-61-38-35(56)32(53)30(51)24(18-48)62-38)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)64-39-34(55)29(50)23(49)19-60-39/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-,37-,38-,39+,40+,43+,44-,45-,46-,47+/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2[C@]([C@@H](CC1)C)(C)O)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Dipsacaceae/Diervillaceae/Linnaeaceae/Valerianaceae | Scabiosa rotata | Ref. |
|
|
zoom in
|
