input word = C00044141

Metabolite InformationStructural formula
Name Cycloethuliacoumarin
Formula C20H20O5
Mw 340.13107375
CAS RN 63893-03-8
C_ID C00044141 ,
InChIKey AWNULKZWGIHZJH-DQEIFZNENA-N
InChICode InChI=1S/C20H20O5/c1-5-18(3)9-20(17-19(4,25-17)10-22-20)24-15-13-11(2)7-6-8-12(13)23-16(21)14(15)18/h5-8,17H,1,9-10H2,2-4H3/t17-,18-,19-,20+/m0/s1
SMILES [C@]12(C[C@](c3c(O1)c1c(oc3=O)cccc1C)(C)C=C)[C@@H]1[C@](CO2)(O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEthulia conyzoides Ref.
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