input word = C00046315

Metabolite InformationStructural formula
Name Plakortamine C
Formula C27H23Br2N5
Mw 575.03202157
CAS RN 467419-73-4
C_ID C00046315 ,
InChIKey XOTOOXJTBNMZDQ-UHFFFAOYSA-N
InChICode InChI=1S/C27H23Br2N5/c1-34(12-8-22-26-20(6-10-30-22)18-4-2-16(28)14-24(18)32-26)13-9-23-27-21(7-11-31-23)19-5-3-17(29)15-25(19)33-27/h2-7,10-11,14-15,32-33H,8-9,12-13H2,1H3
SMILES c12c(ccc(c1)Br)c1c([nH]2)c(ncc1)CCN(C)CCc1c2c(ccn1)c1c([nH]2)cc(cc1)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaPlakinidaePlakortis nigra Ref.
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