input word = C00053421

Metabolite InformationStructural formula
Name Leptine I
Formula C47H75NO16
Mw 909.50858536
CAS RN 101030-83-5
C_ID C00053421
InChIKey XMZHRQCSOUZPRM-UHFFFAOYSA-N
InChICode InChI=1S/C47H75NO16/c1-19-14-30(60-23(5)50)33-20(2)32-29(48(33)17-19)16-28-26-9-8-24-15-25(10-12-46(24,6)27(26)11-13-47(28,32)7)61-45-42(64-44-39(56)37(54)35(52)22(4)59-44)40(57)41(31(18-49)62-45)63-43-38(55)36(53)34(51)21(3)58-43/h8,19-22,25-45,49,51-57H,9-18H2,1-7H3
SMILES CC(=O)OC1CC(C)CN2C3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)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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OrganismSolanum chacoense
ReferenceCardenas, P. D. et al., Nat. Commun.

10, (2019), 5169.