input word = C00037037

Metabolite InformationStructural formula
Name Desmethyldestruxin B
Destruxin DMDB
Formula C29H49N5O7
Mw 579.36319896
CAS RN 27482-48-0
C_ID C00037037 ,
InChIKey PGDSFGPFUUHUMG-UBHOEEIANA-N
InChICode InChI=1S/C29H49N5O7/c1-9-17(5)23-27(38)31-22(16(3)4)28(39)33(8)19(7)25(36)30-14-13-21(35)41-24(18(6)10-2)29(40)34-15-11-12-20(34)26(37)32-23/h16-20,22-24H,9-15H2,1-8H3,(H,30,36)(H,31,38)(H,32,37)/t17-,18+,19-,20-,22-,23-,24+/m0/s1
SMILES [C@@H]1(C(=O)NCCC(=O)O[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)C(C)C)[C@@H](C)CC)CCC2)[C@H](C)CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiDothideomycetesAlternaria brassicae Ref.
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OrganismAlternaria brassicae
ReferencePedras,Phytochem.,59,(2002),579