| Name |
Scaberoside Hb1 |
| Formula |
C58H92O26 |
| Mw |
1204.58768311 |
| CAS RN |
150172-24-0 |
| C_ID |
C00040243
, 
|
| InChIKey |
SCNIRBVRSMNEQE-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C58H92O26/c1-22-32(62)34(64)39(69)48(77-22)81-43-27(60)21-76-51(45(43)83-49-41(71)37(67)42(23(2)78-49)80-47-38(68)33(63)26(59)20-75-47)84-52(74)58-17-16-53(3,4)18-25(58)24-10-11-29-55(7)14-13-31(79-50-40(70)35(65)36(66)44(82-50)46(72)73)54(5,6)28(55)12-15-56(29,8)57(24,9)19-30(58)61/h10,22-23,25-45,47-51,59-71H,11-21H2,1-9H3,(H,72,73)/t22-,23+,25-,26+,27-,28+,29+,30+,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41-,42+,43-,44-,45-,47-,48-,49-,50+,51+,55+,56+,57+,58+/m0/s1 |
| SMILES |
CC1OC(OC2C(O)COC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Aster scaber  | Ref. |
|
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