input word = C00032225

Metabolite InformationStructural formula
Name Sublanceoside D1
(-)-Sublanceoside D1
Formula C45H68O18
Mw 896.44056537
CAS RN 923021-17-4
C_ID C00032225 ,
InChIKey GMSPDUQETVRLLW-CAHLIBOPNA-N
InChICode InChI=1S/C45H68O18/c1-19-24(11-12-55-19)25-9-10-27-26(37(25)50)8-7-23-13-31(30(49)17-45(23,27)5)59-34-14-28(47)41(20(2)56-34)61-35-15-29(48)42(21(3)57-35)62-36-16-32(54-6)43(22(4)58-36)63-44-40(53)39(52)38(51)33(18-46)60-44/h7,11-12,20-22,25-36,38-44,46-49,51-53H,8-10,13-18H2,1-6H3/t20-,21-,22+,25-,26-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,38-,39+,40-,41-,42-,43+,44+,45+/m1/s1
SMILES CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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