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 C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(C[C@@H]([C@@H]([C@]1(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza blinii Ref.
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