input word = C00036683

Metabolite InformationStructural formula
Name ACTG toxin B
Formula C21H32O4
Mw 348.23005951
CAS RN 103873-58-1
C_ID C00036683 ,
InChIKey JVIKZUOZRRYIMX-AUWJEWJLNA-N
InChICode InChI=1S/C21H32O4/c1-13(2)6-5-7-14(3)15-10-11-21(4,25)17(15)12-16-18(22)8-9-19(23)20(16)24/h6-7,15,17,19,22-23,25H,5,8-12H2,1-4H3/b14-7-/t15-,17-,19-,21+/m0/s1
SMILES CC(C)=CC/C=C(/C)C1CCC(C)(O)C1CC1=C(O)CCC(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiDothideomycetesAlternaria alternata Ref.
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