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(Q104962940)
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English
[(E,2S)-2-acetyloxytridec-11-en-3,5,7,9-tetraynyl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Acetyloxytridec-11-en-3,5,7,9-tetraynyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
282.089208928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₄O₄
0 references
canonical SMILES
O=C(OCC(C#CC#CC#CC#CC=CC)OC(=O)C)C
0 references
isomeric SMILES
C/C=C/C#CC#CC#CC#C[C@@H](COC(C)=O)OC(C)=O
0 references
found in taxon
Bidens bipinnata
1 reference
stated in
Polyacetylenverbindungen, LXXV: Neue Inhaltsstoffe ausBidens-Arten
Identifiers
InChI
InChI=1S/C17H14O4/c1-4-5-6-7-8-9-10-11-12-13-17(21-16(3)19)14-20-15(2)18/h4-5,17H,14H2,1-3H3/b5-4+/t17-/m0/s1
0 references
InChIKey
CKVSEMPJEZBGHM-BDUNBXCCSA-N
0 references
PubChem CID
163190035
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CKVSEMPJEZBGHM-BDUNBXCCSA-N
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