input word = C00048603

Metabolite InformationStructural formula
Name Aplicyanin E
(+)-Aplicyanin E
Formula C13H14Br2N4O
Mw 399.9534369
CAS RN 936633-63-5
C_ID C00048603 ,
InChIKey TVCJVNOONREIKD-UHFFFAOYNA-N
InChICode InChI=1S/C13H14Br2N4O/c1-20-19-6-8(11-2-3-17-13(16)18-11)7-4-9(14)10(15)5-12(7)19/h4-6,11H,2-3H2,1H3,(H3,16,17,18)/t11-/m1/s1
SMILES c1(c(cc2c(c1)n(cc2[C@@H]1NC(=NCC1)N)OC)Br)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeAplidium cyaneum Ref.
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OrganismAplidium cyaneum
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165