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CHEBI:218175 - (2S,3S,4S)-8-dehydroxy-8-methoxyldihydronaphthalenone

ChEBI IDCHEBI:218175
ChEBI Name(2S,3S,4S)-8-dehydroxy-8-methoxyldihydronaphthalenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESCOc1cc(OC)c2c(c1O)[C@H]1OC[C@@H](C2=O)[C@@H]1CC(C)=O
InChIInChI=1S/C16H18O6/c1-7(17)4-8-9-6-22-16(8)13-12(14(9)18)10(20-2)5-11(21-3)15(13)19/h5,8-9,16,19H,4,6H2,1-3H3/t8-,9+,16-/m0/s1
InChIKeyHKPOBZPVIIOMLU-DRTKUVKGSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (30145336)
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-8-dehydroxy-8-methoxyldihydronaphthalenone (CHEBI:218175) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,9S,12S)-3-hydroxy-4,6-dimethoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one