| Name |
Scaberoside Ha |
| Formula |
C53H84O22 |
| Mw |
1072.54542437 |
| CAS RN |
150172-23-9 |
| C_ID |
C00040242
, 
|
| InChIKey |
MRAQSMMDVCFYKP-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C53H84O22/c1-21-30(56)32(58)36(62)43(69-21)72-39-25(54)20-68-46(41(39)74-44-37(63)33(59)31(57)22(2)70-44)75-47(67)53-17-16-48(3,4)18-24(53)23-10-11-27-50(7)14-13-29(71-45-38(64)34(60)35(61)40(73-45)42(65)66)49(5,6)26(50)12-15-51(27,8)52(23,9)19-28(53)55/h10,21-22,24-41,43-46,54-64H,11-20H2,1-9H3,(H,65,66)/t21-,22-,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44+,45+,46-,50-,51+,52+,53-/m1/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(O)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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