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CHEBI:227121 - Botryosphaeridione

ChEBI IDCHEBI:227121
ChEBI NameBotryosphaeridione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O3
Net Charge0
Average Mass204.225
Monoisotopic Mass204.07864
SMILESC[C@H]1C(=O)C=CC2=CC(=O)C(O)=C[C@]21C
InChIInChI=1S/C12H12O3/c1-7-9(13)4-3-8-5-10(14)11(15)6-12(7,8)2/h3-7,15H,1-2H3/t7-,12-/m0/s1
InChIKeyVLCRZPUGQUYCEU-MADCSZMMSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria (ncbitaxon:45132) - DOI (10.1016/j.tet.2009.10.084)
ChEBI Ontology
Outgoing Relation(s)
Botryosphaeridione (CHEBI:227121) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,8aS)-7-hydroxy-1,8a-dimethyl-1H-naphthalene-2,6-dione
Manual XrefsDatabases
78437823ChemSpider