input word = C00059162

Metabolite InformationStructural formula
Name 4-[(1E)-3-Hydroxy-1-buten-1-yl]-3,5,5-trimethyl-2-cyclohexen-1-one
Formula C13H20O2
Mw 208.14632988
CAS RN 110114-85-7
C_ID C00059162
InChIKey MDCGEAGEQVMWPE-UHFFFAOYSA-N
InChICode InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3
SMILES CC1=CC(=O)CC(C)(C)C1C=CC(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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