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CHEBI:204969 - Parasiticol

ChEBI IDCHEBI:204969
ChEBI NameParasiticol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O6
Net Charge0
Average Mass302.282
Monoisotopic Mass302.07904
SMILESCOc1cc2c(c3oc(=O)cc(CCO)c13)C1C=COC1O2
InChIInChI=1S/C16H14O6/c1-19-10-7-11-14(9-3-5-20-16(9)21-11)15-13(10)8(2-4-17)6-12(18)22-15/h3,5-7,9,16-17H,2,4H2,1H3
InChIKeyOECIBMLUZYCUSQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (5487091)
ChEBI Ontology
Outgoing Relation(s)
Parasiticol (CHEBI:204969) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
6-(2-hydroxyethyl)-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,5,7,9,14-pentaen-4-one
Manual XrefsDatabases
82086ChemSpider