input word = C00052778

Metabolite InformationStructural formula
Name 8-Geranyloxypsoralen
Formula C21H22O4
Mw 338.15180919
CAS RN 7437-55-0
C_ID C00052778
InChIKey SOVNCTNQAWWYAQ-OQLLNIDSSA-N
InChICode InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
SMILES CC(C)=CCC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus maxima Ref.
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OrganismCitrus maxima
ReferenceDugrand, A. et al., J. Agric. Food. Chem., 61, (2013), 10677-10684.