input word = C00028036

Metabolite InformationStructural formula
Name Chartelline C
Formula C20H15Br2ClN4O
Mw 519.93011464
CAS RN 110271-22-2
C_ID C00028036 ,
InChIKey YZUYHGCIGFNZJF-BSNWAREDNA-N
InChICode InChI=1S/C20H15Br2ClN4O/c1-19(2)6-5-14-20(11-4-3-10(21)7-13(11)24-14)8-15(28)27(20)9-12(23)16-17(19)26-18(22)25-16/h3-7,9H,8H2,1-2H3,(H,25,26)/b6-5+,12-9-/t20-/m0/s1
SMILES CC1(C)/C=C/C2=Nc3cc(Br)ccc3[C@@]23CC(=O)N3/C=C(Cl)c2[nH]c(Br)nc21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Chartella papyracea Ref.
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OrganismChartella papyracea
ReferenceLin,Tetrahedron Lett.,,42,(2001),2631