input word = C00007979

Metabolite InformationStructural formula
Name 2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione
Formula C18H20O4
Mw 300.13615913
CAS RN 34328-57-9
C_ID C00007979 ,
InChIKey CTSXBYQFSBUGKB-UHFFFAOYNA-N
InChICode InChI=1S/C18H20O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t11-,14-/m1/s1
SMILES CC1C(=O)C(C(=O)CCc2ccccc2)C(=O)C(C)(C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica gale Ref.
zoom in