input word = C00026939

Metabolite InformationStructural formula
Name Batzelline A
Formula C12H11ClN2O2S
Mw 282.02297605
CAS RN 123064-89-1
C_ID C00026939 ,
InChIKey HKTWRGLIRIBFJB-UHFFFAOYSA-N
InChICode InChI=1S/C12H11ClN2O2S/c1-15-9-6-5(12(15)18-2)3-4-14-8(6)7(13)10(16)11(9)17/h14H,3-4H2,1-2H3
SMILES c12CCNC3=C(C(=O)C(=O)c(c13)n(c2SC)C)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Batzella sp. Ref.
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