input word = C00027817

Metabolite InformationStructural formula
Name Ageliferin
Formula C22H24Br2N10O2
Mw 618.04504588
CAS RN 117417-64-8
C_ID C00027817 ,
InChIKey DMMLTRAQSJWUHT-TWKCOFDUNA-N
InChICode InChI=1S/C22H24Br2N10O2/c23-10-2-14(27-5-10)19(35)29-4-9-1-13-18(34-22(26)32-13)17(16-8-31-21(25)33-16)12(9)7-30-20(36)15-3-11(24)6-28-15/h2-3,5-6,8-9,12,17,27-28H,1,4,7H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t9-,12-,17-/m1/s1
SMILES [C@H]1([C@H](Cc2c([C@H]1c1[nH]c(nc1)N)[nH]c(n2)N)CNC(=O)c1cc(c[nH]1)Br)CNC(=O)c1[nH]cc(c1)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Asp L-Phe
Organism
Kingdom Family Species Reference
--Stylissa caribica Ref.
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