input word = C00028035

Metabolite InformationStructural formula
Name Chartelline B
Formula C20H14Br3ClN4O
Mw 597.84062751
CAS RN 110271-21-1
C_ID C00028035 ,
InChIKey HMFWDXIIQSKMGY-GAMHFHPTNA-N
InChICode InChI=1S/C20H14Br3ClN4O/c1-19(2)4-3-13-20(15-10(22)5-9(21)6-12(15)25-13)7-14(29)28(20)8-11(24)16-17(19)27-18(23)26-16/h3-6,8H,7H2,1-2H3,(H,26,27)/b4-3+,11-8-/t20-/m1/s1
SMILES CC1(C)/C=C/C2=Nc3cc(Br)cc(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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