input word = C00027740

Metabolite InformationStructural formula
Name 3-Bromostyloguanidine
Formula C17H21BrClN9O2
Mw 497.06901159
CAS RN 162339-62-0
C_ID C00027740 ,
InChIKey AGJCGTPHERGMKD-SUCKPYJUNA-N
InChICode InChI=1S/C17H21BrClN9O2/c18-6-2-23-8-7(6)11-17(27-14(21)24-11)9-5(3-28(17)12(8)29)4(1-20)10(19)16(9)13(30)25-15(22)26-16/h2,4-5,9-11,13,23,30H,1,3,20H2,(H3,21,24,27)(H3,22,25,26)/t4-,5-,9+,10+,11+,13+,16+,17-/m1/s1
SMILES [C@@H]12[C@H](CN3[C@]41[C@H](c1c(C3=O)[nH]cc1Br)N=C(N4)N)[C@H]([C@@H]([C@@]12[C@@H](N=C(N1)N)O)Cl)CN
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Stylorella aurantium Ref.
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