6-dehydroxy-6beta-bromogabosine C (CHEBI:207424)

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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	6-dehydroxy-6beta-bromogabosine C

ChEBI ID	CHEBI:207424

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C7H9BrO4

Net Charge

Average Mass

237.049

Monoisotopic Mass

235.96842

InChI

InChI=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

InChIKey

LEAJUGIPDBPIEB-JCGDXUMPSA-N

SMILES

Br[C@H]1C(=O)C(=C[C@H]([C@H]1O)O)CO

Metabolite of Species	Details
Penicillium concentricum (NCBI:txid293559)	See: PubMed

ChEBI Ontology
Outgoing	6-dehydroxy-6beta-bromogabosine C (CHEBI:207424) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(4R,5R,6R)-6-bromo-4,5-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one