input word = C00021176

Metabolite InformationStructural formula
Name Flexuosin A
Formula C17H24O6
Mw 324.1572885
CAS RN 6851-56-5
C_ID C00021176 ,
InChIKey ROZRLLOAWQAIAR-OSWWGXCCNA-N
InChICode InChI=1S/C17H24O6/c1-7-5-11-13(8(2)16(21)23-11)15(22-9(3)18)17(4)12(20)6-10(19)14(7)17/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)OC(=O)C)([C@@H](C[C@H]2O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium flexuosum Ref.
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