input word = C00020887

Metabolite InformationStructural formula
Name Neogaillardin
Pleniradin acetate
Formula C17H22O5
Mw 306.14672381
CAS RN 25873-32-9
C_ID C00020887 ,
InChIKey UTPGJEROJZHISI-GYFGUDJYNA-N
InChICode InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12-,13+,14+,15-,17-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C=C(C)[C@H]3[C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia pulchella Ref.
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