input word = C00022218

Metabolite InformationStructural formula
Name Nepetefuran
Formula C22H28O7
Mw 404.18350325
CAS RN 29461-24-3
C_ID C00022218 ,
InChIKey DUHMVDDXUFLLRU-HYKVUQMWNA-N
InChICode InChI=1S/C22H28O7/c1-14(23)29-16-10-21(13-28-21)22(25,8-4-15-5-9-26-11-15)20-7-3-6-19(2,17(16)20)18(24)27-12-20/h5,9,11,16-17,25H,3-4,6-8,10,12-13H2,1-2H3/t16-,17+,19+,20-,21-,22+/m1/s1
SMILES C1C[C@]2([C@H]3[C@](C1)([C@]([C@@]1(C[C@H]3OC(=O)C)CO1)(CCc1ccoc1)O)COC2=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonotis nepetaefolia Ref.
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