input word = C00038125

Metabolite InformationStructural formula
Name 11,19-Dideoxyfistularin-3
Formula C31H30Br6N4O9
Mw 1075.71130599
CAS RN 179523-38-7
C_ID C00038125 ,
InChIKey SYYVXQOWLOEXDU-YQUKLQTLNA-N
InChICode InChI=1S/C31H30Br6N4O9/c1-46-24-17(34)10-30(26(42)21(24)36)12-19(40-49-30)28(44)38-5-3-7-48-23-15(32)8-14(9-16(23)33)4-6-39-29(45)20-13-31(50-41-20)11-18(35)25(47-2)22(37)27(31)43/h8-11,26-27,42-43H,3-7,12-13H2,1-2H3,(H,38,44)(H,39,45)/t26-,27-,30+,31+/m0/s1
SMILES C1(=C([C@@H]([C@]2(C=C1Br)ON=C(C2)C(=O)NCCCOc1c(cc(cc1Br)CCNC(=O)C1=NO[C@]2(C=C(C(=C([C@@H]2O)Br)OC)Br)C1)Br)O)Br)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Suberea mollis Ref.
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