input word = C00002262

Metabolite InformationStructural formula
Name alpha-Solanine
Formula C45H73NO15
Mw 867.49802067
CAS RN 20562-02-1
C_ID C00002262 ,
InChIKey ZGVSETXHNHBTRK-HZKUNUFRNA-N
InChICode InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,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 [C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@H]([C@@H](O[C@@H]1O[C@@H]1CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@H]1N2C[C@H](CC1)C)C)C)CO)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum acaule Ref.
PlantaeSolanaceaeSolanum americanum Ref.
PlantaeSolanaceaeSolanum bulbocastanum Ref.
PlantaeSolanaceaeSolanum canasense Ref.
PlantaeSolanaceaeSolanum chacoense Ref.
PlantaeSolanaceaeSolanum chenopodioides Ref.
PlantaeSolanaceaeSolanum commersonii Ref.
PlantaeSolanaceaeSolanum fendleri Ref.
PlantaeSolanaceaeSolanum hougasii Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum multidissectum Ref.
PlantaeSolanaceaeSolanum nigrum Ref.
PlantaeSolanaceaeSolanum phureja Ref.
PlantaeSolanaceaeSolanum pinnacritisectum Ref.
PlantaeSolanaceaeSolanum spp. Ref.
PlantaeSolanaceaeSolanum stoloniferum Ref.
PlantaeSolanaceaeSolanum tarijense Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
PlantaeSolanaceaeSolanum villosum Ref.
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