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CHEBI:185891 - Psoralenol

Default Structure
ChEBI IDCHEBI:185891
ChEBI NamePsoralenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESCC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2CC1O
InChIInChI=1S/C20H18O5/c1-20(2)18(22)8-12-7-11(3-6-16(12)25-20)15-10-24-17-9-13(21)4-5-14(17)19(15)23/h3-7,9-10,18,21-22H,8H2,1-2H3
InChIKeyIPXXMSXJVCGTCG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Psoralenol (CHEBI:185891) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
7-hydroxy-3-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one
Manual XrefsDatabases
4478759ChemSpider
LMPK12050036LIPID MAPS