input word = C00010986

Metabolite InformationStructural formula
Name 1,1,5-Trimethyl-2-formyl-4-(3-methyl-2-butenoyloxy)-2,5-cyclohexadiene
Formula C15H20O3
Mw 248.1412445
CAS RN 33530-15-3
C_ID C00010986 ,
InChIKey YEMAXDYCPIEOJB-UHFFFAOYNA-N
InChICode InChI=1S/C15H20O3/c1-10(2)6-14(17)18-13-7-12(9-16)15(4,5)8-11(13)3/h6-9,13H,1-5H3/t13-/m0/s1
SMILES CC(C)=CC(=O)OC1C=C(C=O)C(C)(C)C=C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLigusticum seguieri Ref.
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OrganismLigusticum seguieri
ReferenceBohlmann,Chem.Ber.,102,(1969),2211

Bohlmann,104,(1971),1957

Bohlmann,107,(1974),1769