input word = C00048338

Metabolite InformationStructural formula
Name Brassicicolin A
Formula C32H48N2O14
Mw 684.31055426
CAS RN 115207-17-5
C_ID C00048338 ,
InChIKey NUTPMBHFPSMMJF-UHFFFAOYNA-N
InChICode InChI=1S/C32H50N2O14/c1-15(2)23(33-11)29(39)47-21(13-43-31(41)25(37)17(5)6)27(45-19(9)35)28(46-20(10)36)22(14-44-32(42)26(38)18(7)8)48-30(40)24(34-12)16(3)4/h11-12,15-18,21-28,37-38H,13-14H2,1-10H3/t21-,22-,23-,24+,25+,26-,27-,28+/m1/s1
SMILES [C@H]([C@@H](COC(=O)[C@H](C(C)C)O)OC(=O)[C@@H](C(C)C)[N]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiDothideomycetesAlternaria brassicicola Ref.
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OrganismAlternaria brassicicola
ReferencePedras,Phytochem.,70,(2009),394