input word = C00026941

Metabolite InformationStructural formula
Name Isobatzelline A
Formula C12H12ClN3OS
Mw 281.03896047
CAS RN 133401-01-1
C_ID C00026941 ,
InChIKey CWQZDUYOMXCYKI-UHFFFAOYSA-N
InChICode InChI=1S/C12H12ClN3OS/c1-16-10-6-5(12(16)18-2)3-4-15-9(6)7(13)8(14)11(10)17/h3-4,14H2,1-2H3
SMILES c12CCN=C3c1c(C(=O)C(=C3Cl)N)n(c2SC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Batzella sp. Ref.
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OrganismBatzella sp.
ReferenceSun,J.Org.Chem.,55,(1990),4964

Sakemi,Tetrahedron Lett.,30,(1989),2517