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CHEBI:229051 - Anhydro notoptol

ChEBI IDCHEBI:229051
ChEBI NameAnhydro notoptol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O4
Net Charge0
Average Mass336.387
Monoisotopic Mass336.13616
SMILESC=C(C)/C=C/C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C21H20O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h4-5,7-10,12-13H,1,6,11H2,2-3H3/b5-4+,15-9+
InChIKeySFUVOLKWTCFJSX-YUQKSTFXSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Anhydro notoptol (CHEBI:229051) is a psoralens (CHEBI:26369)
IUPAC Name 
4-[(2E,5E)-3,7-dimethylocta-2,5,7-trienoxy]uro[3,2-g]chromen-7-one
Manual XrefsDatabases
4477426ChemSpider