input word = C00042025

Metabolite InformationStructural formula
Name 1',2'-Didehydrostemofoline N-oxide
Formula C22H27NO6
Mw 401.1838376
CAS RN 161728-26-3
C_ID C00042025 ,
InChIKey VWQGQBAVFGGKLV-MFBVSKPFNA-N
InChICode InChI=1S/C22H27NO6/c1-5-6-8-21-14-7-9-23(21,25)13-10-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(24)27-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13?,14+,15-,16+,21+,22+,23+/m0/s1
SMILES [C@]12(/C=C/CC)[C@H]3O[C@@]45[C@@H]1CCN2(=O)[C@H](C3)[C@H]4[C@@H](/C(=C\1/C(=C(C(=O)O1)C)OC)/O5)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
PlantaeStemonaceaeStemona sp. Ref.
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OrganismStemona sp.
ReferenceSastraruji,J.Nat.Prod.,68,(2005),1763