input word = C00049800

Metabolite InformationStructural formula
Name Keramadine
Formula C12H14BrN5O
Mw 323.03817301
CAS RN 88839-97-8
C_ID C00049800 ,
InChIKey IHGGTFLLONNOLE-IHWYPQMZSA-N
InChICode InChI=1S/C12H14BrN5O/c1-18-9(7-17-12(18)14)3-2-4-15-11(19)10-5-8(13)6-16-10/h2-3,5-7,16H,4H2,1H3,(H2,14,17)(H,15,19)/b3-2-
SMILES c1c(cc([nH]1)C(=O)NC/C=C\c1n(c(nc1)N)C)Br
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Asp
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas dispar Ref.
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