input word = C00028685

Metabolite InformationStructural formula
Name N-Hydroxyrobustine
Formula C50H81NO20
Mw 1015.53519404
CAS RN 156122-58-6
C_ID C00028685 ,
InChIKey HNMOCCUDUXOCOP-UHFFFAOYNA-N
InChICode InChI=1S/C50H81NO20/c1-20-9-14-50(51(62)17-20)21(2)32-30(71-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,32)6)66-47-43(70-46-40(61)37(58)34(55)23(4)65-46)42(69-44-38(59)35(56)29(53)19-63-44)41(31(18-52)67-47)68-45-39(60)36(57)33(54)22(3)64-45/h7,20-23,25-47,52-62H,8-19H2,1-6H3/t20-,21-,22+,23+,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-/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@]1(O2)N(C[C@H](CC1)C)O)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[C@@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)C)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum robustum Wendl. Ref.
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