input word = C00044162

Metabolite InformationStructural formula
Name Ethuliacoumarin
Formula C20H22O5
Mw 342.14672381
CAS RN 63893-02-7
C_ID C00044162 ,
InChIKey GTHJSZWFFNGEQF-NQDYJFDNNA-N
InChICode InChI=1S/C20H22O5/c1-6-19(5)10-20(22,17-18(3,4)25-17)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-/m0/s1
SMILES C=C[C@@]1(C)C[C@@](O)([C@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(C)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEthulia conyzoides Ref.
zoom in