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(Q115948208)
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English
1-Benzoxirene-2,5-dione, 4-(3-oxobutyl)hexahydro-3,3,4-trimethyl
group of stereoisomers with the chemical formula C₁₃H₁₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
238.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈O₄
0 references
canonical SMILES
O=C(C)CCC1(C(=O)C2OC2C(=O)C1(C)C)C
0 references
found in taxon
Nicotiana tabacum
1 reference
stated in
Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves
Identifiers
InChI
InChI=1S/C13H18O4/c1-7(14)5-6-13(4)11(16)9-8(17-9)10(15)12(13,2)3/h8-9H,5-6H2,1-4H3
0 references
InChIKey
WICCRSLJPMTZJK-UHFFFAOYSA-N
0 references
PubChem CID
536547
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
50196820
1 reference
stated in
UniChem
KNApSAcK ID
C00062974
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WICCRSLJPMTZJK-UHFFFAOYSA-N
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