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CHEBI:218045 - 7'beta-hydroxyzearalenone

ChEBI IDCHEBI:218045
ChEBI Name7'beta-hydroxyzearalenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESC[C@H]1CC[C@@H](O)C(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O6/c1-11-7-8-15(21)14(20)6-4-2-3-5-12-9-13(19)10-16(22)17(12)18(23)24-11/h3,5,9-11,15,19,21-22H,2,4,6-8H2,1H3/b5-3+/t11-,15+/m0/s1
InChIKeyRPQCUTIZGHBWMX-YQRHFANHSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies PSU-ES123 (ncbitaxon:1608752) - DOI (10.1016/j.tet.2016.08.048)
ChEBI Ontology
Outgoing Relation(s)
7'beta-hydroxyzearalenone (CHEBI:218045) is a macrolide (CHEBI:25106)
7'beta-hydroxyzearalenone (CHEBI:218045) is a resorcinols (CHEBI:33572)
IUPAC Name 
(4S,7R,12E)-7,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
Manual XrefsDatabases
58197251ChemSpider