input word = C00055734

Metabolite InformationStructural formula
Name beta1-Solanine
Formula C39H63NO10
Mw 705.44519724
CAS RN 142287-76-1
C_ID C00055734
InChIKey ZLSYCIYRYZUJCZ-ICOPVGSFSA-N
InChICode InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1
SMILES C[C@@H]1CN2[C@@]3([H])C[C@@]4([H])[C@]([C@]5([H])CC[C@]4(C)[C@@]3([H])[C@H](C)[C@@]2([H])CC1)([H])CC=C([C@]5(C)CC6)C[C@H]6O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
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