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CHEBI:185724 - Zearalenone 4-sulfate

ChEBI IDCHEBI:185724
ChEBI NameZearalenone 4-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O8S
Net Charge0
Average Mass398.433
Monoisotopic Mass398.10354
SMILESCC1CCCC(=O)CCC/C=C/c2cc(OS(=O)(=O)O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O8S/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(26-27(22,23)24)11-16(20)17(13)18(21)25-12/h3,7,10-12,20H,2,4-6,8-9H2,1H3,(H,22,23,24)/b7-3+
InChIKeyGQAJNGUAQKYPCH-XVNBXDOJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Zearalenone 4-sulfate (CHEBI:185724) is a macrolide (CHEBI:25106)
Zearalenone 4-sulfate (CHEBI:185724) is a resorcinols (CHEBI:33572)
IUPAC Name 
[(12E)-18-hydroxy-4-methyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-16-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0033623HMDB
22369969ChemSpider