| Name |
Conyzasaponin I
(-)-Conyzasaponin I |
| Formula |
C63H102O30 |
| Mw |
1338.64559192 |
| CAS RN |
653593-32-9 |
| C_ID |
C00044639
, 
|
| InChIKey |
VUBHWRMYRVQZNR-HPKSDFOENA-N |
| InChICode |
InChI=1S/C63H102O30/c1-24-35(70)39(74)42(77)53(85-24)89-47-31(69)22-83-52(44(47)79)88-46-25(2)86-54(43(78)40(46)75)91-49-37(72)30(68)21-84-56(49)93-57(81)63-15-13-58(3,4)17-27(63)26-9-10-34-59(5)18-28(66)50(60(6,23-65)33(59)11-12-62(34,8)61(26,7)14-16-63)92-55-45(80)48(38(73)32(19-64)87-55)90-51-41(76)36(71)29(67)20-82-51/h9,24-25,27-56,64-80H,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-,59-,60-,61+,62+,63-/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H](O)C[C@]2([C@H]([C@]1(C)CO)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1OC[C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)C)O)O)C)C)C)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Conyza blinii | Ref. |
|
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