input word = C00053422

Metabolite InformationStructural formula
Name Leptine II
Formula C47H75NO17
Mw 925.50349998
CAS RN 101054-39-1
C_ID C00053422
InChIKey DSPIKEJLUKOSTB-UHFFFAOYSA-N
InChICode InChI=1S/C47H75NO17/c1-19-13-30(60-22(4)51)33-20(2)32-29(48(33)16-19)15-28-25-8-7-23-14-24(9-11-46(23,5)27(25)10-12-47(28,32)6)61-45-41(64-44-38(56)36(54)34(52)21(3)59-44)39(57)40(31(18-50)62-45)63-43-26(17-49)35(53)37(55)42(58)65-43/h7,19-21,24-45,49-50,52-58H,8-18H2,1-6H3
SMILES CC(=O)OC1CC(C)CN2C3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(O)C(O)C(O)C8CO)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C(C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum chacoense Ref.
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