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.
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