input word = C00047883

Metabolite InformationStructural formula
Name Flustramine H
Formula C21H29BrN2O
Mw 404.14632646
CAS RN 1187956-21-3
C_ID C00047883 ,
InChIKey YFSNZRUSLZKXIV-NPTRQIJANA-N
InChICode InChI=1S/C21H29BrN2O/c1-14(2)6-5-7-15(3)10-11-21-12-13-24(4)20(21)23-19-16(22)8-9-17(25)18(19)21/h6,8-10,20,23,25H,5,7,11-13H2,1-4H3/b15-10+/t20-,21-/m0/s1
SMILES CC(C)=CCC/C(C)=C/C[C@@]12CCN(C)[C@@H]1Nc1c(Br)ccc(O)c12
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Flustra foliacea Ref.
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OrganismFlustra foliacea
ReferenceRochfort,J.Nat.Prod.,72,(2009),1773