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(Q115948237)
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English
4-(2,2,3-Trimethyl-6-methylidenecyclohexyl)but-3-en-2-one
group of stereoisomers with the chemical formula C₁₄H₂₂O
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
206.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂O
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canonical SMILES
O=C(C=CC1C(=C)CCC(C)C1(C)C)C
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found in taxon
Punica granatum
1 reference
stated in
Volatile organic compounds in the aril juices and seeds from selected five pomegranate (Punica granatum L.) cultivars
Identifiers
InChI
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3
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InChIKey
MVPDTCQYNRKWJA-UHFFFAOYSA-N
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PubChem CID
56632788
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
26397418
1 reference
stated in
UniChem
KNApSAcK ID
C00063017
1 reference
based on heuristic
inferred from InChIKey
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