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(Q105276965)
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English
(E)-1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
1 reference
based on heuristic
inferred from SMILES
mass
208.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(Z)-1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₀O₂
0 references
canonical SMILES
O=C(C=CC)C1=C(C)CC(O)CC1(C)C
0 references
isomeric SMILES
C/C=C/C(=O)C1=C(C)C[C@H](O)CC1(C)C
0 references
found in taxon
Vitis vinifera
1 reference
stated in
Norisoprenoids in Vitis vinifera White Wine Grapes and the Identification of a Precursor of Damascenone in These Fruits
Identifiers
InChI
InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5+/t10-/m0/s1
0 references
InChIKey
UPRXEFYRIACHQZ-PORFMDCZSA-N
0 references
PubChem CID
92254819
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
UPRXEFYRIACHQZ-PORFMDCZSA-N
UniChem compound ID
104050343
1 reference
stated in
UniChem
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