CHEBI:185724 - Zearalenone 4-sulfate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Zearalenone 4-sulfate
ChEBI ID CHEBI:185724
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O8S
Net Charge 0
Average Mass 398.430
Monoisotopic Mass 398.10354
InChI InChI=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+
InChIKey GQAJNGUAQKYPCH-XVNBXDOJSA-N
SMILES S(OC1=CC2=C(C(OC(CCCC(=O)CCCC=C2)C)=O)C(O)=C1)(O)(=O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
22369969 ChemSpider
HMDB0033623 HMDB
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