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=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@H](O)C[C@@H](O)[C@@]3(C)[C@H](OC(C)=O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium flexuosum Ref.
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