input word = C00021171

Metabolite InformationStructural formula
Name Chamissonolide
Formula C17H24O6
Mw 324.1572885
CAS RN 78853-98-2
C_ID C00021171 ,
InChIKey TVXMVPIXPQJTJQ-MIFBYVBBNA-N
InChICode InChI=1S/C17H24O6/c1-7-5-10-13(8(2)16(21)23-10)15(20)17(4)12(19)6-11(14(7)17)22-9(3)18/h7,10-15,19-20H,2,5-6H2,1,3-4H3/t7-,10-,11+,12-,13+,14-,15+,17-/m1/s1
SMILES [C@@H]12[C@]([C@H]([C@@H]3[C@@H](C[C@H]1C)OC(=O)C3=C)O)([C@@H](C[C@@H]2OC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica chamissonis Ref.
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OrganismArnica chamissonis
ReferenceWilluhn,Tetrahedron,37,(1981),37