input word = C00042437

Metabolite InformationStructural formula
Name Cynascyroside A
Formula C40H60O13
Mw 748.403392
CAS RN 217186-29-3
C_ID C00042437 ,
InChIKey HQCJJIBBAMRGHC-JNGNTRRYNA-N
InChICode InChI=1S/C40H60O13/c1-19-24(12-13-47-19)25-10-11-27-26(37(25)44)9-8-23-14-30(29(42)18-40(23,27)5)51-33-15-28(41)38(21(3)49-33)52-35-17-32(46-7)39(22(4)50-35)53-34-16-31(45-6)36(43)20(2)48-34/h8,12-13,20-22,25-36,38-39,41-43H,9-11,14-18H2,1-7H3/t20-,21-,22+,25-,26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36-,38-,39+,40+/m1/s1
SMILES CO[C@@H]1C[C@@H](O[C@H]2[C@H](C)O[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)C[C@H]2OC)O[C@H](C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum ascyrifolium Ref.
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