input word = C00026942

Metabolite InformationStructural formula
Name Isobatzelline B
Formula C12H13N3OS
Mw 247.07793279
CAS RN 133401-02-2
C_ID C00026942 ,
InChIKey BWQVVSNLZOCGOQ-UHFFFAOYSA-N
InChICode InChI=1S/C12H13N3OS/c1-15-10-9-6(12(15)17-2)3-4-14-8(9)5-7(13)11(10)16/h5H,3-4,13H2,1-2H3
SMILES CSc1c2c3c(n1C)C(=O)C(N)=CC3=NCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
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