| Name |
Scaberoside Hg |
| Formula |
C69H110O35 |
| Mw |
1498.68276529 |
| CAS RN |
154971-88-7 |
| C_ID |
C00040249
, 
|
| InChIKey |
BZALPGTWNIALAP-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C69H110O35/c1-24-36(75)39(78)43(82)58(94-24)100-51-30(73)23-93-62(54(51)103-59-45(84)41(80)49(25(2)95-59)98-57-47(86)50(29(72)22-92-57)99-56-42(81)37(76)28(71)21-91-56)104-63(90)69-17-16-64(3,4)18-27(69)26-10-11-33-66(7)14-13-35(65(5,6)32(66)12-15-67(33,8)68(26,9)19-34(69)74)97-61-48(87)52(46(85)53(102-61)55(88)89)101-60-44(83)40(79)38(77)31(20-70)96-60/h10,24-25,27-54,56-62,70-87H,11-23H2,1-9H3,(H,88,89)/t24-,25+,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37+,38+,39-,40-,41+,42+,43-,44-,45+,46-,47+,48-,49+,50+,51+,52+,53-,54-,56+,57-,58+,59+,60+,61-,62+,66-,67+,68-,69+/m0/s1 |
| SMILES |
CC1OC(OC2C(O)COC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)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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