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CHEBI:200606 - 4,6,2',4',6'-Pentabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl Ether

ChEBI IDCHEBI:200606
ChEBI Name4,6,2',4',6'-Pentabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl Ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H9Br5O3
Net Charge0
Average Mass624.743
Monoisotopic Mass619.64685
SMILESCc1c(Br)c(O)cc(Oc2c(Br)c(C)c(Br)c(O)c2Br)c1Br
InChIInChI=1S/C14H9Br5O3/c1-4-8(15)6(20)3-7(9(4)16)22-14-11(18)5(2)10(17)13(21)12(14)19/h3,20-21H,1-2H3
InChIKeyYXUBHCXJJUTWOH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (21072776)
ChEBI Ontology
Outgoing Relation(s)
4,6,2',4',6'-Pentabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl Ether (CHEBI:200606) is a aromatic ether (CHEBI:35618)
4,6,2',4',6'-Pentabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl Ether (CHEBI:200606) is a organobromine compound (CHEBI:37141)
IUPAC Name 
2,4,6-tribromo-3-(2,4-dibromo-5-hydroxy-3-methylphenoxy)-5-methylphenol
Manual XrefsDatabases
27025437ChemSpider