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CHEBI:207418 - 6-dehydroxy-6alpha-bromogabosine C

ChEBI IDCHEBI:207418
ChEBI Name6-dehydroxy-6alpha-bromogabosine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H9BrO4
Net Charge0
Average Mass237.049
Monoisotopic Mass235.96842
SMILESO=C1C(CO)=C[C@@H](O)[C@@H](O)[C@@H]1Br
InChIInChI=1S/C7H9BrO4/c8-5-6(11)3(2-9)1-4(10)7(5)12/h1,4-5,7,9-10,12H,2H2/t4-,5-,7-/m1/s1
InChIKeyLEAJUGIPDBPIEB-WYDQCIBASA-N
Species of MetaboliteComponentSourceComments
Penicillium concentricum (ncbitaxon:293559) - PubMed (28409637)
ChEBI Ontology
Outgoing Relation(s)
6-dehydroxy-6alpha-bromogabosine C (CHEBI:207418) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,5R,6S)-6-bromo-4,5-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one
Manual XrefsDatabases
78443328ChemSpider