input word = C00032231

Metabolite InformationStructural formula
Name Sublanceoside F4
Formula C47H72O19
Mw 940.46678012
CAS RN 923021-23-2
C_ID C00032231 ,
InChIKey OEULUESFLVFSRY-WGWDHQISNA-N
InChICode InChI=1S/C47H72O19/c1-20-39(64-35-15-30(55-7)41(22(3)60-35)66-44-38(53)37(52)36(51)31(17-48)63-44)26(49)13-33(58-20)65-40-21(2)59-34(14-29(40)54-6)61-28-12-23-8-9-24-25(45(23,4)16-27(28)50)10-11-47-19-57-46(5)42(47)32(18-56-46)62-43(24)47/h8,20-22,25-42,44,48-53H,9-19H2,1-7H3/t20-,21-,22+,25+,26+,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41+,42-,44+,45+,46-,47+/m1/s1
SMILES CO[C@H]1C[C@H](O[C@@H]2CC3=CCC4=C5O[C@@H]6CO[C@]7(C)OC[C@@]5(CC[C@@H]4[C@@]3(C)C[C@H]2O)[C@H]67)O[C@H](C)[C@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@@H](OC)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)O2)[C@@H](C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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