input word = C00045801

Metabolite InformationStructural formula
Name Conyzasaponin G
Formula C41H66O14
Mw 782.44525682
CAS RN 317818-08-9
C_ID C00045801 ,
InChIKey PFSFWINAWVBFAA-ZRHYBUBANA-N
InChICode InChI=1S/C41H66O14/c1-36(2)11-13-41(35(50)51)14-12-39(5)20(21(41)15-36)7-8-26-37(3)16-22(44)32(38(4,19-43)25(37)9-10-40(26,39)6)55-34-30(49)31(28(47)24(17-42)53-34)54-33-29(48)27(46)23(45)18-52-33/h7,21-34,42-49H,8-19H2,1-6H3,(H,50,51)/t21-,22-,23+,24+,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza blinii Ref.
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