input word = C00059319

Metabolite InformationStructural formula
Name 5-Isopentenyloxy-8-(2',3'-epoxyisopentenyloxy)-psoralen
Formula C21H22O6
Mw 370.14163844
CAS RN 117030-02-1
C_ID C00059319
InChIKey RESHBLYKTIBHEF-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O6/c1-12(2)7-9-23-17-13-5-6-16(22)26-19(13)20(18-14(17)8-10-24-18)25-11-15-21(3,4)27-15/h5-8,10,15H,9,11H2,1-4H3
SMILES CC(C)=CCOc1c2ccoc2c(OCC2OC2(C)C)c2oc(=O)ccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus limon Ref.
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