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CHEBI:218039 - 5′beta-hydroxyzearalenone

ChEBI IDCHEBI:218039
ChEBI Name5′beta-hydroxyzearalenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESC[C@H]1CCCC(=O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O6/c1-11-5-4-8-15(21)14(20)7-3-2-6-12-9-13(19)10-16(22)17(12)18(23)24-11/h2,6,9-11,14,19-20,22H,3-5,7-8H2,1H3/b6-2+/t11-,14-/m0/s1
InChIKeyZEBYTFXKYZGDFM-CZPIQHGUSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies PSU-ES123 (ncbitaxon:1608752) - DOI (10.1016/j.tet.2016.08.048)
ChEBI Ontology
Outgoing Relation(s)
5′beta-hydroxyzearalenone (CHEBI:218039) is a macrolide (CHEBI:25106)
5′beta-hydroxyzearalenone (CHEBI:218039) is a resorcinols (CHEBI:33572)
IUPAC Name 
(4S,9S,12E)-9,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
Manual XrefsDatabases
58197250ChemSpider