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(Q105167338)
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English
4-[(R)-2,6,6-Trimethyl-4-oxo-2-cyclohexenyl]-3-butene-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Oxo-alpha-ionone
1 reference
based on heuristic
inferred from SMILES
mass
206.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-[(S)-2,6,6-Trimethyl-4-oxo-2-cyclohexenyl]-3-butene-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₈O₂
0 references
canonical SMILES
O=C(C=CC1C(=CC(=O)CC1(C)C)C)C
0 references
isomeric SMILES
CC(=O)/C=C/[C@H]1C(C)=CC(=O)CC1(C)C
0 references
found in taxon
Chenopodium album
2 references
stated in
Isolation and Phytotoxicity of Apocarotenoids fromChenopodiumalbum
stated in
Isolation and Phytotoxicity of Apocarotenoids fromChenopodiumalbum
Tridax procumbens
1 reference
stated in
Chemical-constituent diversity of Tridax procumbens
Identifiers
InChI
InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,12H,8H2,1-4H3/b6-5+/t12-/m0/s1
0 references
InChIKey
MLYOGKJJENFVJN-FYJFLYSWSA-N
0 references
PubChem CID
13146048
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MLYOGKJJENFVJN-FYJFLYSWSA-N
UniChem compound ID
444791
1 reference
stated in
UniChem
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