input word = C00044067

Metabolite InformationStructural formula
Name 5'-epi-Isoethuliacoumarin B
(+)-5'-epi-Isoethuliacoumarin B
Formula C20H22O5
Mw 342.14672381
CAS RN 212266-09-6
C_ID C00044067 ,
InChIKey WEPZBXOVWNYLTR-KFCOIAHNNA-N
InChICode InChI=1S/C20H22O5/c1-6-19(5)10-20(17(22)18(3,4)25-20)24-15-13-11(2)8-7-9-12(13)23-16(21)14(15)19/h6-9,17,22H,1,10H2,2-5H3/t17-,19+,20-/m1/s1
SMILES c1ccc2c(c1C)c1c(c(=O)o2)[C@@](C[C@@]2(O1)OC([C@H]2O)(C)C)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEthulia conyzoides Ref.
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