| Name |
Conyzasaponin L
(-)-Conyzasaponin L |
| Formula |
C69H112O36 |
| Mw |
1516.69332998 |
| CAS RN |
653593-35-2 |
| C_ID |
C00044642
, 
|
| InChIKey |
RGVLCQHWHWBIKL-HOQUOCFWNA-N |
| InChICode |
InChI=1S/C69H112O36/c1-24-37(78)43(84)54(103-59-46(87)42(83)40(81)32(18-70)97-59)62(95-24)100-51-31(76)22-93-57(48(51)89)99-50-25(2)96-58(47(88)44(50)85)102-53-39(80)30(75)21-94-61(53)105-63(91)69-14-13-64(3,4)15-27(69)26-9-10-35-65(5)16-28(73)55(66(6,23-72)34(65)11-12-67(35,7)68(26,8)17-36(69)77)104-60-49(90)52(41(82)33(19-71)98-60)101-56-45(86)38(79)29(74)20-92-56/h9,24-25,27-62,70-90H,10-23H2,1-8H3/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+,55-,56-,57-,58-,59-,60-,61-,62-,65+,66-,67+,68+,69+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@H](O[C@H]4C(OC(=O)[C@]56CCC(C)(C)C[C@H]5C5=CC[C@@H]7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@H]9O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]5(C)C[C@H]6O)OC[C@H](O)[C@@H]4O)O[C@H]3C)OC[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Conyza blinii | Ref. |
|
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