input word = C00039455

Metabolite InformationStructural formula
Name Isostemofoline
Formula C22H29NO5
Mw 387.20457304
CAS RN 558427-04-6
C_ID C00039455 ,
InChIKey DTVYAHOULQCSMS-ASMXAAAGNA-N
InChICode InChI=1S/C22H29NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h11,13-16H,5-10H2,1-4H3/b19-18+/t11-,13-,14+,15-,16+,21-,22+/m0/s1
SMILES [C@@H]1([C@H]2[C@]3(O[C@@H]4[C@]5(CCCC)[C@H]3CCN5[C@H]2C4)O/C/1=C\1/OC(=O)C(=C1OC)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeStemonaceaeStemona japonica Ref.
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OrganismStemona japonica
ReferenceTang,J.Nat.Prod.,71,(2008),112