input word = C00034454

Metabolite InformationStructural formula
Name beta-Chaconine
beta1-Chaconine
Formula C39H63NO10
Mw 705.44519724
CAS RN 472-51-5
C_ID C00034454 ,
InChIKey ZLSYCIYRYZUJCZ-KZDXJZOKNA-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 C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@H]1N2C[C@H](CC1)C)C)C)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)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum ajanhuiri Ref.
PlantaeSolanaceaeSolanum chacoense Ref.
PlantaeSolanaceaeSolanum commersonii Ref.
PlantaeSolanaceaeSolanum commersonii, Ref.
PlantaeSolanaceaeSolanum crispum Ref.
PlantaeSolanaceaeSolanum stenotomum Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
--Solanaceae Ref.
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