input word = C00028295

Metabolite InformationStructural formula
Name Germanitrine
Formula C39H59NO11
Mw 717.40881173
CAS RN 639-11-2
C_ID C00028295 ,
InChIKey JDCJBUJXKILORV-REGDBTGUNA-N
InChICode InChI=1S/C39H59NO11/c1-9-20(4)33(43)49-28-13-14-35(7)26-15-25(48-22(6)41)31-37(35,51-39(26,28)47)16-24-23-18-40-17-19(3)11-12-27(40)36(8,45)29(23)30(42)32(38(24,31)46)50-34(44)21(5)10-2/h9,19,21,23-32,42,45-47H,10-18H2,1-8H3/b20-9-/t19-,21+,23-,24-,25+,26-,27-,28-,29+,30+,31+,32-,35-,36+,37+,38-,39-/m0/s1
SMILES [C@]123O[C@@]4([C@H](CC[C@]1([C@@H]4C[C@H]([C@H]2[C@]1([C@@H](C3)[C@H]2[C@H]([C@H]([C@@H]1OC(=O)[C@@H](CC)C)O)[C@]([C@H]1N(C2)C[C@H](CC1)C)(C)O)O)OC(=O)C)C)OC(=O)/C(=C\C)/C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum fimbriatum Ref.
PlantaeMelanthiaceaeVeratrum maackii Ref.
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