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CHEBI:201027 - Bromochlorogentisylquinone A

ChEBI IDCHEBI:201027
ChEBI NameBromochlorogentisylquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H4BrClO3
Net Charge0
Average Mass251.463
Monoisotopic Mass249.90323
SMILESO=C1C=C(Cl)C(=O)C(CO)=C1Br
InChIInChI=1S/C7H4BrClO3/c8-6-3(2-10)7(12)4(9)1-5(6)11/h1,10H,2H2
InChIKeyKNSJWYKCRWFSBT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phoma herbarum (ncbitaxon:73001) - PubMed (20224602)
ChEBI Ontology
Outgoing Relation(s)
Bromochlorogentisylquinone A (CHEBI:201027) is a p-quinones (CHEBI:25830)
Bromochlorogentisylquinone A (CHEBI:201027) is a benzoquinones (CHEBI:22729)
IUPAC Name 
2-bromo-5-chloro-3-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
27024792ChemSpider