input word = C00047805

Metabolite InformationStructural formula
Name Clavatadine C
Formula C14H17Br2N5O3
Mw 460.96981525
CAS RN 1152092-56-2
C_ID C00047805 ,
InChIKey DMNVUXRRFZWSMP-UHFFFAOYSA-N
InChICode InChI=1S/C14H17Br2N5O3/c15-8-5-14(6-9(16)11(8)22)7-10(21-24-14)12(23)19-3-1-2-4-20-13(17)18/h5-6H,1-4,7H2,(H,19,23)(H4,17,18,20)
SMILES C1(=C[C@@]2(C=C(C1=O)Br)CC(=NO2)C(=O)NCCCCNC(=N)N)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
--Suberea clavata Ref.
zoom in