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CHEBI:205340 - Phyllostoxin

ChEBI IDCHEBI:205340
ChEBI NamePhyllostoxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O4
Net Charge0
Average Mass260.289
Monoisotopic Mass260.10486
SMILESCCC(=O)[C@]1(C)C(=O)c2c1ccc(C)c2OC(C)=O
InChIInChI=1S/C15H16O4/c1-5-11(17)15(4)10-7-6-8(2)13(19-9(3)16)12(10)14(15)18/h6-7H,5H2,1-4H3/t15-/m1/s1
InChIKeyDILARCNLBXHZHH-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta cirsii (ncbitaxon:1986016) - PubMed (18197625)
ChEBI Ontology
Outgoing Relation(s)
Phyllostoxin (CHEBI:205340) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3,7-dimethyl-8-oxo-7-propanoyl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate
Manual XrefsDatabases
31122450ChemSpider