input word = C00026536

Metabolite InformationStructural formula
Name Securamine C
Formula C20H18BrClN4O2
Mw 460.03016646
CAS RN 173220-57-0
C_ID C00026536 ,
InChIKey JEVYNKSHGQMDPV-URPSFYOFNA-N
InChICode InChI=1S/C20H18BrClN4O2/c1-18(2)14(22)9-19-12-8-16(27)25(19)6-5-15-20(18,24-17(28)23-15)26(19)13-7-10(21)3-4-11(12)13/h3-7,12,14H,8-9H2,1-2H3,(H,24,28)/t12-,14+,19+,20+/m1/s1
SMILES [C@@H]1(Cl)C(C)([C@@]23N4c5cc(ccc5[C@@H]5[C@]4(N(C(=O)C5)C=CC2=NC(=O)N3)C1)Br)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Securiflustra securifrons Ref.
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