input word = C00053040

Metabolite InformationStructural formula
Name Epoxyaurapten
Formula C19H22O4
Mw 314.15180919
CAS RN 21499-17-2
C_ID C00053040
InChIKey KJDXYWIMMJVFLH-JIIJFUIFSA-N
InChICode InChI=1S/C19H22O4/c1-13(4-8-17-19(2,3)23-17)10-11-21-15-7-5-14-6-9-18(20)22-16(14)12-15/h5-7,9-10,12,17H,4,8,11H2,1-3H3/b13-10+/t17-/m1/s1
SMILES CC1(C)O[C@@H]1CC/C(C)=C/COC2=CC=C(C=CC(O3)=O)C3=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus bergamia Ref.
PlantaeRutaceaeCitrus maxima Ref.
PlantaeRutaceaeCitrus paradisi Ref.
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OrganismCitrus maxima
ReferenceDugrand, A. et al., J. Agric. Food. Chem., 61, (2013), 10677-10684.