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(Q104939108)
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English
(4R)-4-butanoyl-2,2-dimethylcyclohexane-1,3,5-trione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-butanoyl-2,2-dimethylcyclohexane-1,3,5-trione
1 reference
based on heuristic
inferred from SMILES
mass
224.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₄
0 references
canonical SMILES
O=C1CC(=O)C(C(=O)C1C(=O)CCC)(C)C
0 references
isomeric SMILES
CCCC(=O)[C@@H]1C(=O)CC(=O)C(C)(C)C1=O
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found in taxon
Phegopteris connectilis
1 reference
stated in
Phloroglucides ofDryopteris phegopteris
Identifiers
InChI
InChI=1S/C12H16O4/c1-4-5-7(13)10-8(14)6-9(15)12(2,3)11(10)16/h10H,4-6H2,1-3H3/t10-/m1/s1
0 references
InChIKey
BNZBFYLKXOKGAO-SNVBAGLBSA-N
0 references
PubChem CID
163047145
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BNZBFYLKXOKGAO-SNVBAGLBSA-N
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