input word = C00012222

Metabolite InformationStructural formula
Name [S-(E,E)]-5,8,9,11a-Tetrahydro-3,6,10-trimethylcyclodeca[b]furan-2,4-dione
Formula C15H18O3
Mw 246.12559444
CAS RN 70224-78-1
C_ID C00012222 ,
InChIKey OQNQRVJAHDEKHV-KEJHVVMWNA-N
InChICode InChI=1S/C15H18O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h5,8,13H,4,6-7H2,1-3H3/b9-5-,10-8+/t13-/m0/s1
SMILES C12=C(C(=O)O[C@H]1/C=C(/CC/C=C(\CC2=O)/C)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWunderlichia mirabilis Ref.
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