input word = C00024948

Metabolite InformationStructural formula
Name Pukeensine
Formula C44H64N2O3
Mw 668.49169392
CAS RN 144442-84-2
C_ID C00024948 ,
InChIKey KVOUULIRGZGBLJ-XBGLDNOYNA-N
InChICode InChI=1S/C44H64N2O3/c1-25-26-7-13-42(37(25)47)30-21-31-39(2)8-4-10-43(31,34(42)18-26)35(30)45(24-39)14-16-48-23-28-22-41-12-6-27(28)19-33(41)44-11-5-9-40(3)32(44)20-29(41)36(44)46-15-17-49-38(40)46/h26-38,47H,1,4-24H2,2-3H3/t26?,27-,28+,29-,30-,31+,32?,33+,34+,35+,36+,37+,38-,39+,40+,41+,42?,43?,44+/m0/s1
SMILES N12CCO[C@H]1[C@]1([C@@H]3[C@]4([C@H]2[C@@H]([C@@]25[C@H]4C[C@H](CC2)[C@@H](COCCN2C[C@]4(CCC[C@]67[C@H]8[C@]9([C@@H](C[C@H]46)[C@@H]27)[C@@H](C(=C)[C@H](C8)CC9)O)C)C5)C3)CCC1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum pukeense Ref.
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