input word = C00044199

Metabolite InformationStructural formula
Name Isoethuliacoumarin A
Formula C20H22O5
Mw 342.14672381
CAS RN 76235-78-4
C_ID C00044199 ,
InChIKey LJPDNHJFYBWMCF-LNMRHMHANA-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+/m1/s1
SMILES c1ccc2c(c1C)c1c(c(=O)o2)[C@@](C[C@](O1)([C@@H](C(=C)C)O)O)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEthulia conyzoides Ref.
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OrganismEthulia conyzoides
ReferenceMahmoud,Phytochem.,48,(1998),543