input word = C00044066

Metabolite InformationStructural formula
Name 5'-epi-Isoethuliacoumarin A
Formula C20H22O5
Mw 342.14672381
CAS RN 212265-69-5
C_ID C00044066 ,
InChIKey LJPDNHJFYBWMCF-QMTGAZGWNA-N
InChICode InChI=1S/C20H22O5/c1-6-19(5)10-20(23,17(21)11(2)3)25-16-14-12(4)8-7-9-13(14)24-18(22)15(16)19/h6-9,17,21,23H,1-2,10H2,3-5H3/t17-,19-,20+/m0/s1
SMILES C=C[C@@]1(C)C[C@](O)(C(O)C(=C)C)Oc2c1c(=O)oc1cccc(C)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEthulia conyzoides Ref.
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