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CHEBI:218051 - 9′alpha-hydroxyzearalenone

ChEBI IDCHEBI:218051
ChEBI Name9′alpha-hydroxyzearalenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESC[C@@H]1OC(=O)c2c(O)cc(O)cc2/C=C/CCCC(=O)CC[C@@H]1O
InChIInChI=1S/C18H22O6/c1-11-15(21)8-7-13(19)6-4-2-3-5-12-9-14(20)10-16(22)17(12)18(23)24-11/h3,5,9-11,15,20-22H,2,4,6-8H2,1H3/b5-3+/t11-,15-/m0/s1
InChIKeyDKAOWTOLCIMDKW-HYUHUPJXSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies PSU-ES123 (ncbitaxon:1608752) - DOI (10.1016/j.tet.2016.08.048)
ChEBI Ontology
Outgoing Relation(s)
9′alpha-hydroxyzearalenone (CHEBI:218051) is a macrolide (CHEBI:25106)
9′alpha-hydroxyzearalenone (CHEBI:218051) is a resorcinols (CHEBI:33572)
IUPAC Name 
(4S,5S,12E)-5,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
Manual XrefsDatabases
58197252ChemSpider