input word = C00042692

Metabolite InformationStructural formula
Name Leptinine I
Formula C45H73NO15
Mw 867.49802067
CAS RN 101009-59-0
C_ID C00042692 ,
InChIKey XDGNTUGBJHWIRF-RQLQYLSRNA-N
InChICode InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@H]1[C@H](C3)N3[C@@H]([C@H]1C)[C@H](C[C@@H](C3)C)O)C)CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum chacoense Ref.
PlantaeSolanaceaeSolanum orbignianum Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
zoom in