input word = C00024782

Metabolite InformationStructural formula
Name AK-toxin II
Formula C22H25NO6
Mw 399.16818754
CAS RN 85146-10-7
C_ID C00024782 ,
InChIKey UKDOGRQIIQQZBO-JKUFBBORNA-N
InChICode InChI=1S/C22H25NO6/c1-16(24)23-18(14-17-10-6-5-7-11-17)21(27)29-19(22(2)15-28-22)12-8-3-4-9-13-20(25)26/h3-13,18-19H,14-15H2,1-2H3,(H,23,24)(H,25,26)/b4-3+,12-8+,13-9+/t18-,19-,22-/m1/s1
SMILES C(=O)(/C=C/C=C/C=C/[C@@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)C)[C@@]1(OC1)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Asp L-Phe IPP L-His
Organism
Kingdom Family Species Reference
FungiDothideomycetesAlternaria alternata Ref.
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