input word = C00028034

Metabolite InformationStructural formula
Name Chartelline A
Formula C20H13Br4N4O
Mw 640.78228767
CAS RN 96845-55-5
C_ID C00028034 ,
InChIKey YINYCEBRSUOYPR-LXXKPPOJNA-N
InChICode InChI=1S/C20H13Br4ClN4O/c1-19(2)4-3-11-20(13-10(26-11)5-8(21)14(22)15(13)23)6-12(30)29(20)7-9(25)16-17(19)28-18(24)27-16/h3-5,7H,6H2,1-2H3,(H,27,28)/b4-3+,9-7-
SMILES CC1(C)/C=C/C2=Nc3cc(Br)c(Br)c(Br)c3[C@@]23CC(=O)N3/C=C(Cl)c2[nH]c(Br)nc21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
--Chartella papyracea Ref.
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