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(Q105188392)
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English
[(2R,3E,5E)-1-hydroxytrideca-3,5-dien-7,9,11-triyn-2-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-Hydroxytrideca-3,5-dien-7,9,11-triyn-2-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
242.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₄O₃
0 references
canonical SMILES
O=C(OC(C=CC=CC#CC#CC#CC)CO)C
0 references
isomeric SMILES
CC#CC#CC#C/C=C/C=C/[C@H](CO)OC(C)=O
0 references
found in taxon
Rhaponticoides ruthenica
1 reference
stated in
Weitere acetylenverbindungen aus Centaurea ruthenica
Identifiers
InChI
InChI=1S/C15H14O3/c1-3-4-5-6-7-8-9-10-11-12-15(13-16)18-14(2)17/h9-12,15-16H,13H2,1-2H3/b10-9+,12-11+/t15-/m1/s1
0 references
InChIKey
NZQYGGXLOAWQMA-FTPUYCAPSA-N
0 references
PubChem CID
162969298
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NZQYGGXLOAWQMA-FTPUYCAPSA-N
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