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CHEBI:175078 - (S,E)-Zearalenone

ChEBI IDCHEBI:175078
ChEBI Name(S,E)-Zearalenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O5
Net Charge0
Average Mass318.369
Monoisotopic Mass318.14672
SMILESCC1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/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/b7-3+
InChIKeyMBMQEIFVQACCCH-XVNBXDOJSA-N
ChEBI Ontology
Outgoing Relation(s)
(S,E)-Zearalenone (CHEBI:175078) is a macrolide (CHEBI:25106)
(S,E)-Zearalenone (CHEBI:175078) is a resorcinols (CHEBI:33572)
IUPAC Name 
(12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
Manual XrefsDatabases
HMDB0031752HMDB
LSM-44632LINCS
4524664ChemSpider
Registry NumbersSources
CAS:7645-23-0ChemIDplus