input word = C00028981

Metabolite InformationStructural formula
Name Securamine B
Formula C20H19BrClN4O
Mw 445.04307687
CAS RN 173220-56-9
C_ID C00028981 ,
InChIKey XRFAXSYCYALISO-WAYWQWQTNA-N
InChICode InChI=1S/C20H19Br2ClN4O/c1-19(2)15(23)9-20-12(11-4-3-10(21)7-14(11)26-20)8-16(28)27(20)6-5-13-17(19)25-18(22)24-13/h3-7,12,15,26H,8-9H2,1-2H3,(H,24,25)/b6-5-/t12-,15-,20-/m0/s1
SMILES [C@]123N(/C=C\c4c(C([C@H](C1)Cl)(C)C)nc([nH]4)Br)C(=O)C[C@H]2c1c(N3)cc(cc1)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
--Securiflustra securifrons Ref.
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