CHEBI:205869 - 4,6,4',6'-Tetrabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 4,6,4',6'-Tetrabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether
ChEBI ID CHEBI:205869
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H10Br4O3
Net Charge 0
Average Mass 545.847
Monoisotopic Mass 541.73635
InChI InChI=1S/C14H10Br4O3/c1-5-11(15)7(19)3-9(13(5)17)21-10-4-8(20)12(16)6(2)14(10)18/h3-4,19-20H,1-2H3
InChIKey IZCKAIWTJWFNEI-UHFFFAOYSA-N
SMILES BrC1=C(OC2=C(Br)C(=C(Br)C(=C2)O)C)C=C(O)C(=C1C)Br
Metabolite of Species Details
Penicillium chrysogenum (NCBI:txid5076) See: PubMed
ChEBI Ontology
Outgoing 4,6,4',6'-Tetrabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether (CHEBI:205869) is a aromatic ether (CHEBI:35618)
4,6,4',6'-Tetrabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether (CHEBI:205869) is a organobromine compound (CHEBI:37141)
IUPAC Name
2,4-dibromo-5-(2,4-dibromo-5-hydroxy-3-methylphenoxy)-3-methylphenol
Manual Xref Database
27025436 ChemSpider
View more database links