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(Q115946803)
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English
2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
megastigmane
1 reference
based on heuristic
inferred from SMILES
mass
190.135765196
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈O
0 references
canonical SMILES
O=C1C=C(C(=CC=CC)C(C)(C)C1)C
0 references
found in taxon
Nicotiana tabacum
2 references
stated in
Toxicological evaluation of aerosols of a tobacco extract formulation and nicotine formulation in acute and short-term inhalation studies.
stated in
Extraction of essential oil from discarded tobacco leaves by solvent extraction and steam distillation, and identification of its chemical composition
Identifiers
InChI
InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3
0 references
InChIKey
CBQXHTWJSZXYSK-UHFFFAOYSA-N
0 references
PubChem CID
107631
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
26104953
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20863497
1 reference
matched by identifier from
InChIKey
InChIKey
CBQXHTWJSZXYSK-UHFFFAOYSA-N
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