input word = C00025493

Metabolite InformationStructural formula
Name Dehydrocommersonine
5,6-Didehydrocommersonine
Formula C51H83NO21
Mw 1045.54575872
CAS RN 65428-74-2
C_ID C00025493 ,
InChIKey PNSNMPAXFQRVOV-QCZIQIJDNA-N
InChICode InChI=1S/C51H83NO21/c1-20-5-8-27-21(2)33-28(52(27)15-20)14-26-24-7-6-22-13-23(9-11-50(22,3)25(24)10-12-51(26,33)4)66-46-42(65)39(62)43(32(19-56)70-46)71-49-45(73-48-41(64)38(61)35(58)30(17-54)68-48)44(36(59)31(18-55)69-49)72-47-40(63)37(60)34(57)29(16-53)67-47/h6,20-21,23-49,53-65H,5,7-19H2,1-4H3/t20-,21+,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-,51-/m0/s1
SMILES C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum chacoense Ref.
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OrganismSolanum chacoense
ReferenceZacharius,Plant Sci.Lett.,10,(1977),283