input word = C00042693

Metabolite InformationStructural formula
Name Leptinine II
Formula C45H73NO16
Mw 883.49293529
CAS RN 100994-57-8
C_ID C00042693 ,
InChIKey JLFJEGBBEGUZBB-UHFFFAOYNA-N
InChICode InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,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[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)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.
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