input word = C00038070

Metabolite InformationStructural formula
Name (+)-Aerothionin
Aerothionin
Formula C24H26Br4N4O8
Mw 813.84841544
CAS RN 28714-26-3
C_ID C00038070 ,
InChIKey BJWQSQOWGBUSFC-SYCOFJNWNA-N
InChICode InChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20-,23+,24+/m0/s1
SMILES C1(=C([C@@H]([C@]2(C=C1Br)ON=C(C2)C(=O)NCCCCNC(=O)C1=NO[C@]2(C=C(C(=C([C@@H]2O)Br)OC)Br)C1)O)Br)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
AnimaliaAplysinidaeAplysina gerardogreeni Ref.
--Himerometra magnipinna Ref.
--Psammaplysilla purpurea Ref.
--Suberea mollis Ref.
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