input word = C00044742

Metabolite InformationStructural formula
Name Eleganolactone B
Formula C15H18O5
Mw 278.11542369
CAS RN 583850-78-6
C_ID C00044742 ,
InChIKey WFYBOEGIJBIGPA-CLCRZHIVNA-N
InChICode InChI=1S/C15H18O5/c1-7-4-5-10(16)8(2)6-11-12(14(18)13(7)17)9(3)15(19)20-11/h6,10-12,14,16,18H,1,3-5H2,2H3/b8-6+/t10-,11+,12-,14-/m0/s1
SMILES C1CC(=C)C(=O)[C@H]([C@@H]2[C@@H](/C=C(/[C@H]1O)\C)OC(=O)C2=C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGonospermum elegans Ref.
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