CHEBI:210990 - Bromochlorogentisylquinone B

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ChEBI Name Bromochlorogentisylquinone B
ChEBI ID CHEBI:210990
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H4BrClO3
Net Charge 0
Average Mass 251.460
Monoisotopic Mass 249.90323
InChI InChI=1S/C7H4BrClO3/c8-5-4(11)1-3(2-10)7(12)6(5)9/h1,10H,2H2
InChIKey SJHMAJNUGGYXNI-UHFFFAOYSA-N
SMILES BrC1=C(Cl)C(=O)C(CO)=CC1=O
Metabolite of Species Details
Phoma herbarum (NCBI:txid73001) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
27024793 ChemSpider
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