input word = C00024781

Metabolite InformationStructural formula
Name AK-toxin I
Formula C23H27NO6
Mw 413.1838376
CAS RN 85146-09-4
C_ID C00024781 ,
InChIKey HGSOUJPIFSDBKJ-FGTVCLKNNA-N
InChICode InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4+,13-9+,14-10+/t16-,19-,21-,23-/m0/s1
SMILES CC(=O)NC(C(=O)OC(/C=C/C=C/C=C/C(=O)O)C1(C)CO1)C(C)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe IPP L-His
Organism
Kingdom Family Species Reference
FungiDothideomycetesAlternaria alternata Ref.
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OrganismAlternaria alternata
ReferenceNakashima,Tetrahedron Lett.,23,(1982),4469

Nakashima,Agric.Biol.Chem.,49,(1985),807

Ando,Heterocycles,29,(1989),1023