input word = C00028980

Metabolite InformationStructural formula
Name Securamine A
Formula C20H20BrClN4O
Mw 446.0509019
CAS RN 173220-55-8
C_ID C00028980 ,
InChIKey RIOWJYUGPBYKPY-FPLPWBNLNA-N
InChICode InChI=1S/C20H20BrClN4O/c1-19(2)15(22)10-20-12(11-5-3-4-6-13(11)25-20)9-16(27)26(20)8-7-14-17(19)24-18(21)23-14/h3-8,12,15,25H,9-10H2,1-2H3,(H,23,24)/b8-7-/t12-,15+,20-/m1/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)cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Securiflustra securifrons Ref.
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OrganismSecuriflustra securifrons
ReferenceRahbaek,J.Org.Chem.,61,(1996),887