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(Q104253617)
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English
3-Oxo-alpha-damascone
group of stereoisomers with the chemical formula C₁₃H₁₈O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
megastigmane
1 reference
inferred from
megastigmane
mass
206.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈O₂
0 references
canonical SMILES
O=C1C=C(C)C(C(=O)C=CC)C(C)(C)C1
0 references
isomeric SMILES
C/C=C/C(=O)C1C(C)=CC(=O)CC1(C)C
1 reference
based on heuristic
inferred from InChI
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/C13H18O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-7,12H,8H2,1-4H3/b6-5+
0 references
InChIKey
CATMHDIEBOVJJJ-AATRIKPKSA-N
0 references
PubChem CID
5352453
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CATMHDIEBOVJJJ-AATRIKPKSA-N
UniChem compound ID
57042474
1 reference
stated in
UniChem
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