input word = C00036682

Metabolite InformationStructural formula
Name ACTG toxin A
Formula C21H32O4
Mw 348.23005951
CAS RN 103873-57-0
C_ID C00036682 ,
InChIKey CENFHJQPQOWQRO-UHFFFAOYNA-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/h6,10,14,17,19,22-23,25H,5,7-9,11-12H2,1-4H3/t14-,17+,19+,21-/m1/s1
SMILES CC(C)=CCCC(C)C1=CCC(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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OrganismAlternaria alternata
ReferenceLiebermann,Phytochem.,55,(2000),987