input word = C00032904

Metabolite InformationStructural formula
Name Desgalactotigonin
(-)-Desgalactotigonin
Formula C50H82O22
Mw 1034.52977431
CAS RN 39941-51-0
C_ID C00032904 ,
InChIKey BJNQXJIQCPPOHN-UMCAGVOHNA-N
InChICode InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,47+,48-,49+,50-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@@](C1)([C@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@@H](CC2)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)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](CO1)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativum Ref.
PlantaeSolanaceaeSolanum nigrum L. Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
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