input word = C00040086

Metabolite InformationStructural formula
Name Psammaplin I
Formula C12H15BrN2O5S2
Mw 409.96057596
CAS RN 540466-77-1
C_ID C00040086 ,
InChIKey FIEIPKPRYNAIPC-GDNBJRDFSA-N
InChICode InChI=1S/C12H15BrN2O5S2/c1-22(19,20)21-5-4-14-12(17)10(15-18)7-8-2-3-11(16)9(13)6-8/h2-3,6,16,18H,4-5,7H2,1H3,(H,14,17)/b15-10-
SMILES CS(=O)(=O)SCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=NO
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Pseudoceratina purpurea Ref.
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