input word = C00056672

Metabolite InformationStructural formula
Name 5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone
Formula C20H22O4
Mw 326.15180919
CAS RN 122548-31-6
C_ID C00056672
InChIKey OTCZINUTVRBSEL-UHFFFAOYSA-N
InChICode InChI=1S/C20H22O4/c1-9(2)13-7-15(11(5)17(21)19(13)23)16-8-14(10(3)4)20(24)18(22)12(16)6/h7-10H,1-6H3
SMILES CC1=C(C2=C(C)C(=O)C(=O)C(C(C)C)=C2)C=C(C(C)C)C(=O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeThymus vulgaris Ref.
zoom in



OrganismThymus vulgaris
ReferenceNakatani, N. et al., Agric. Biol. Chem., 1989, 53, 1375 (isol, pmr, cmr)