input word = C00057513

Metabolite InformationStructural formula
Name 1,4,5,8,8a,10,11,11a-Octahydrocyclopent[d]oxecin-2,9-dione
Formula C12H16O3
Mw 208.10994438
CAS RN 70981-24-7
C_ID C00057513
InChIKey DINQMNROFIPFOH-BSANDHCLSA-N
InChICode InChI=1S/C12H16O3/c13-11-6-5-9-8-12(14)15-7-3-1-2-4-10(9)11/h1-2,9-10H,3-8H2/b2-1-/t9-,10-/m1/s1
SMILES O=C1OCC/C=CC[C@]2([H])[C@@](CCC2=O)([H])C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum grandiflorum Ref.
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OrganismJasminum grandiflorum
ReferenceDemole, E. et al., Helv. Chim. Acta, 1964, 47, 1152 (isol, ir, pmr, ms, struct)