input word = C00028412

Metabolite InformationStructural formula
Name Isorubijervine
Formula C27H43NO2
Mw 413.32937962
CAS RN 468-45-1
C_ID C00028412 ,
InChIKey NMFWDNZLNHRNAT-HFPKYGCTNA-N
InChICode InChI=1S/C27H43NO2/c1-16-4-7-23-17(2)25-24(28(23)14-16)13-22-20-6-5-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,25)15-29/h5,16-17,19-25,29-30H,4,6-15H2,1-3H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27+/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)CO)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum dahuricum Ref.
PlantaeMelanthiaceaeVeratrum escholtzii Ref.
PlantaeMelanthiaceaeVeratrum lobelianum Ref.
PlantaeMelanthiaceaeVeratrum nigrum Ref.
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