input word = C00034457

Metabolite InformationStructural formula
Name beta-Solanine
Formula C39H63NO11
Mw 721.44011186
CAS RN 61877-94-9
C_ID C00034457 ,
InChIKey OCVQAFQRXHOFMV-HXFKNLJZNA-N
InChICode InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3/t18-,19+,21-,22+,23-,24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-/m0/s1
SMILES [C@@H]12[C@@]3([C@@H](C[C@@H]1N1[C@@H]([C@H]2C)CC[C@@H](C1)C)[C@H]1[C@H](CC3)[C@@]2(C(=CC1)C[C@H](CC2)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum chacoense Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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