| Name |
Scaberoside B2 |
| Formula |
C41H64O13 |
| Mw |
764.43469213 |
| CAS RN |
138822-84-1 |
| C_ID |
C00040239
, 
|
| InChIKey |
FQQHBSIHBIECLU-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C41H64O13/c1-36(2)14-16-41(35(50)54-33-29(46)26(43)22(42)19-51-33)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-30(47)27(44)28(45)31(53-34)32(48)49/h8,21-31,33-34,42-47H,9-19H2,1-7H3,(H,48,49)/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,33+,34-,38+,39-,40-,41-/m1/s1 |
| SMILES |
CC1(C)CCC2(C(=O)OC3OCC(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Aster scaber  | Ref. |
|
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