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CHEBI:211128 - Khusinol E

ChEBI IDCHEBI:211128
ChEBI NameKhusinol E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESCC(C)[C@H]1CCC(C(=O)O)=C2CCC(=O)C=C21
InChIInChI=1S/C14H18O3/c1-8(2)10-5-6-12(14(16)17)11-4-3-9(15)7-13(10)11/h7-8,10H,3-6H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyREMXGBXOFDECAF-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Graphostroma (ncbitaxon:190933) - DOI (10.1016/j.tet.2017.11.013)
ChEBI Ontology
Outgoing Relation(s)
Khusinol E (CHEBI:211128) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R)-6-oxo-4-propan-2-yl-3,4,7,8-tetrahydro-2H-naphthalene-1-carboxylic acid
Manual XrefsDatabases
63002564ChemSpider