input word = C00053957

Metabolite InformationStructural formula
Name 14-Acetylzearalenone
Formula C20H24O6
Mw 360.1572885
CAS RN 119950-10-6
C_ID C00053957
InChIKey CTKJAUGEWDLMLQ-GBVBUYCNSA-N
InChICode InChI=1S/C20H24O6/c1-13-7-6-10-16(22)9-5-3-4-8-15-11-17(26-14(2)21)12-18(23)19(15)20(24)25-13/h4,8,11-13,23H,3,5-7,9-10H2,1-2H3/b8-4+/t13-/m0/s1
SMILES CC(=O)Oc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium graminearum Ref.
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OrganismFusarium graminearum
ReferenceAldrich Library of 13C and 1H FT NMR Spectra,1992, 2, 1315B (nmr)