input word = C00012938

Metabolite InformationStructural formula
Name Mikacynancholide
[3aR-(3aalpha,3bbeta,6aalpha,7aalpha,7bbeta,7cbeta,8abeta)]-3a,3b,6a,7a,7b,7c,8,8a-Octahydro-7b-methyl-3-methylene-2H-oxireno[5,6]naphtho[3,2-b:1,8-b'c']difuran-2,5(3H)-dione
Formula C15H14O5
Mw 274.08412356
CAS RN 92631-94-2
C_ID C00012938 ,
InChIKey SDDUXDYWCUNMAR-UHFFFAOYNA-N
InChICode InChI=1S/C15H14O5/c1-5-9-8(19-13(5)16)4-15(2)10-6(3-7-12(15)18-7)14(17)20-11(9)10/h3,7-12H,1,4H2,2H3/t7-,8+,9+,10-,11+,12-,15-/m1/s1
SMILES C12=C[C@@H]3[C@H]([C@]4([C@H]1[C@H]([C@@H]1[C@H](C4)OC(=O)C1=C)OC2=O)C)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMikania cynanchifolia Ref.
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OrganismMikania cynanchifolia
ReferenceBohlmann,Phytochem.,23,(1984),1099