input word = C00046111

Metabolite InformationStructural formula
Name Ma'edamine B
Formula C22H22Br2N3O3
Mw 534.00279239
CAS RN 310396-70-4
C_ID C00046111 ,
InChIKey NDGJXFQQCGZNIA-UHFFFAOYSA-N
InChICode InChI=1S/C22H22Br3N3O3/c1-26-6-3-7-31-21-16(24)10-14(11-17(21)25)19-12-27-22(29)18(28-19)9-13-4-5-20(30-2)15(23)8-13/h4-5,8,10-12,26H,3,6-7,9H2,1-2H3,(H,27,29)
SMILES c1(c(cc(cc1)Cc1c(=O)[nH]cc(n1)c1cc(c(c(c1)Br)OCCCNC)Br)Br)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Suberea sp. Ref.
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