| Name |
Conyzasaponin A
(-)-Conyzasaponin A |
| Formula |
C62H100O30 |
| Mw |
1324.62994186 |
| CAS RN |
317816-98-1 |
| C_ID |
C00045798
, 
|
| InChIKey |
JCKMWWXSGNJTQY-OVEKABABNA-N |
| InChICode |
InChI=1S/C62H100O30/c1-25-43(87-50-41(76)44(31(69)21-82-50)88-54-47(78)62(80,23-65)24-84-54)38(73)40(75)51(85-25)90-46-36(71)30(68)20-83-53(46)92-55(79)61-14-12-56(2,3)16-27(61)26-8-9-34-57(4)17-28(66)48(58(5,22-64)33(57)10-11-60(34,7)59(26,6)13-15-61)91-52-42(77)45(37(72)32(18-63)86-52)89-49-39(74)35(70)29(67)19-81-49/h8,25,27-54,63-78,80H,9-24H2,1-7H3/t25-,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-,57-,58-,59+,60+,61-,62+/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]1[C@@H]([C@](CO1)(CO)O)O)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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