input word = C00057758

Metabolite InformationStructural formula
Name Spirotorvoside
Formula C39H64O13
Mw 740.43469213
CAS RN 1073131-38-0
C_ID C00057758
InChIKey RJPJSOZRUREJDT-ZVAYZFOJSA-N
InChICode InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(40)24-12-20(7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-/m0/s1
SMILES C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O[C@@H]7O[C@H](C)[C@@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum torvum Ref.
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