ZEARALENONE

Zearalenone (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes.

Molecular Formula: C₁₈H₂₂O₅

InChI: InChI=1/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/t12-/m0/s1

InChIKey: InChIKey=MBMQEIFVQACCCH-LBPRGKRZBQ
SMILES: CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O

Names:
    MLS000028817
    SMR000058177
    ZEARALENONE
    (4S)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,15,17,19-tetraene-2,8-dione

Registries:
    PubChem CID 442549
    PubChem ID 11532983