input word = C00021067

Metabolite InformationStructural formula
Name 4-Epipulchellin
Formula C15H22O4
Mw 266.15180919
CAS RN 25328-01-2
C_ID C00021067 ,
InChIKey BPUNWVGCTMEMKQ-RSNCILCUNA-N
InChICode InChI=1S/C15H22O4/c1-7-4-11-9(8(2)14(18)19-11)6-15(3)12(17)5-10(16)13(7)15/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9-,10+,11+,12+,13-,15-/m1/s1
SMILES [C@@H]12[C@](C[C@H]3[C@H](C[C@H]1C)OC(=O)C3=C)([C@H](C[C@@H]2O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia pulchella Ref.
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OrganismGaillardia pulchella
ReferenceHarimaya,Heterocycles,27,(1988),83