input word = C00010982

Metabolite InformationStructural formula
Name 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-methylcrotonate
Formula C15H20O3
Mw 248.1412445
CAS RN 28333-43-9
C_ID C00010982 ,
InChIKey GFJLWBMIBNQNJJ-UHFFFAOYNA-N
InChICode InChI=1S/C15H20O3/c1-6-10(2)14(17)18-13-7-12(9-16)15(4,5)8-11(13)3/h6-9,13H,1-5H3/b10-6+/t13-/m1/s1
SMILES C1=C([C@@H](C=C(C1(C)C)C=O)OC(=O)/C(=C/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula hispanica Ref.
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OrganismFerula hispanica
ReferenceBohlmann,Chem.Ber.,102,(1969),2211

Bohlmann,104,(1971),1957

Bohlmann,107,(1974),1769