CHEBI:210990 - Bromochlorogentisylquinone B

ChEBI IDCHEBI:210990
ChEBI NameBromochlorogentisylquinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H4BrClO3
Net Charge0
Average Mass251.463
Monoisotopic Mass249.90323
SMILESO=C1C=C(CO)C(=O)C(Cl)=C1Br
InChIInChI=1S/C7H4BrClO3/c8-5-4(11)1-3(2-10)7(12)6(5)9/h1,10H,2H2
InChIKeySJHMAJNUGGYXNI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phoma herbarum (ncbitaxon:73001) - PubMed (20224602)
ChEBI Ontology
Outgoing Relation(s)
Bromochlorogentisylquinone B (CHEBI:210990) is a p-quinones (CHEBI:25830)
Bromochlorogentisylquinone B (CHEBI:210990) is a benzoquinones (CHEBI:22729)
IUPAC Name 
2-bromo-3-chloro-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
27024793ChemSpider