input word = C00029219

Metabolite InformationStructural formula
Name Verussurine
(+)-Verussurine
Formula C43H61NO13
Mw 799.41429104
CAS RN 214046-03-4
C_ID C00029219 ,
InChIKey MHQPNCBMPCWYOY-PWIKSSQINA-N
InChICode InChI=1S/C43H61NO13/c1-9-22(3)37(47)56-36-34(46)33-25(20-44-19-21(2)10-13-31(44)40(33,6)49)26-18-41-35(42(26,36)50)29(54-23(4)45)17-30-39(41,5)15-14-32(43(30,51)57-41)55-38(48)24-11-12-27(52-7)28(16-24)53-8/h11-12,16,21-22,25-26,29-36,46,49-51H,9-10,13-15,17-20H2,1-8H3/t21-,22+,25-,26-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40+,41+,42-,43-/m0/s1
SMILES [C@@]123[C@@]4([C@@H]([C@@]([C@H](CC4)OC(=O)c4ccc(c(c4)OC)OC)(O3)O)C[C@H]([C@H]1[C@]1([C@@H](C2)[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)(O)C)O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum album Ref.
PlantaeMelanthiaceaeVeratrum nigrum var.ussuriense Ref.
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