input word = C00034047

Metabolite InformationStructural formula
Name Maculansin A
Formula C22H28N2O10
Mw 480.17439513
CAS RN 1106930-29-3
C_ID C00034047 ,
InChIKey XQBSOXRYXYNGRH-WWGFTEFTNA-N
InChICode InChI=1S/C22H28N2O10/c1-11(2)17(23-7)21(29)33-15(9-31-13(5)25)19(27)20(28)16(10-32-14(6)26)34-22(30)18(24-8)12(3)4/h15-16,19-20,27-28H,9-10H2,1-6H3/t15-,16-,19-,20-/m1/s1
SMILES [C@@H]([C@H](O)[C@@H](COC(=O)C)OC(=O)C(=C(C)C)[N+]
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiPhaeosphaeriaceaeLeptosphaeria maculans Ref.
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