input word = C00032230

Metabolite InformationStructural formula
Name Sublanceoside E5
(-)-Sublanceoside E5
Formula C40H60O13
Mw 748.403392
CAS RN 923021-22-1
C_ID C00032230 ,
InChIKey MUUBBCBSCRKBGH-OPJZHFQXNA-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)51-34-17-32(46-7)39(22(4)50-34)53-33-15-28(41)38(21(3)49-33)52-35-16-31(45-6)36(43)20(2)48-35/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-/m0/s1
SMILES C1[C@H](C(=O)[C@H]2[C@H](C1)[C@@]1(C(=CC2)C[C@H]([C@@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@@H](C1)OC)O)C)O)C)C)c1c(occ1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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