| Name |
Conyzasaponin C |
| Formula |
C68H110O34 |
| Mw |
1470.68785067 |
| CAS RN |
317817-01-9 |
| C_ID |
C00045800
, 
|
| InChIKey |
KJUQTZDRNXFTJF-XRFRUTLRNA-N |
| InChICode |
InChI=1S/C68H110O34/c1-26-37(76)41(80)43(82)56(93-26)97-48-33(75)22-90-55(44(48)83)96-47-27(2)94-57(46(85)50(47)99-60-52(86)68(88,24-71)25-92-60)100-51-39(78)32(74)21-91-59(51)102-61(87)67-15-13-62(3,4)17-29(67)28-9-10-36-63(5)18-30(72)53(64(6,23-70)35(63)11-12-66(36,8)65(28,7)14-16-67)101-58-45(84)49(40(79)34(19-69)95-58)98-54-42(81)38(77)31(73)20-89-54/h9,26-27,29-60,69-86,88H,10-25H2,1-8H3/t26-,27-,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-,63-,64-,65+,66+,67-,68+/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]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O[C@H]4[C@H](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)CC6)OC[C@H](O)[C@@H]4O)O[C@H]3C)OC[C@H]2O)[C@H](O)[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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