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CHEBI:175631 - 4-Acetylzearalenone

ChEBI IDCHEBI:175631
ChEBI Name4-Acetylzearalenone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O6
Net Charge0
Average Mass360.406
Monoisotopic Mass360.15729
SMILESCC(=O)Oc1cc(O)c2c(c1)/C=C/CCCC(=O)CCCC(C)OC2=O
InChIInChI=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+
InChIKeyCTKJAUGEWDLMLQ-XBXARRHUSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Acetylzearalenone (CHEBI:175631) is a macrolide (CHEBI:25106)
4-Acetylzearalenone (CHEBI:175631) is a resorcinols (CHEBI:33572)
IUPAC Name 
[(12E)-18-hydroxy-4-methyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-16-yl] acetate
Manual XrefsDatabases
35014746ChemSpider
HMDB0039100HMDB