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(Q63408865)
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English
(Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
389.10117058000003
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₁₅N₃O₅
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canonical SMILES
CO/C=C(\C(=O)O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CO/C=C(/C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)\C(=O)O
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Identifiers
InChI
InChI=1S/C21H15N3O5/c1-27-12-16(21(25)26)15-7-3-5-9-18(15)29-20-10-19(23-13-24-20)28-17-8-4-2-6-14(17)11-22/h2-10,12-13H,1H3,(H,25,26)/b16-12-
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InChIKey
IKCXDZCEWZARFL-VBKFSLOCSA-N
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PubChem CID
21584515
1 reference
matched by identifier from
InChIKey
InChIKey
IKCXDZCEWZARFL-VBKFSLOCSA-N
UniChem compound ID
30276636
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Eawag-EA273401
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MSBNK-Eawag-EA273402
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MSBNK-Eawag-EA273403
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MSBNK-Eawag-EA273404
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MSBNK-Eawag-EA273405
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MSBNK-Eawag-EA273406
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MSBNK-Eawag-EA273407
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MSBNK-Eawag-EA273408
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MSBNK-Eawag-EA273409
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MSBNK-Eawag-EA273410
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MSBNK-Eawag-EA273411
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MSBNK-Eawag-EA273412
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MSBNK-Eawag-EA273413
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MSBNK-Eawag-EA273414
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MSBNK-Eawag-EA273451
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MSBNK-Eawag-EA273452
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MSBNK-Eawag-EA273453
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MSBNK-Eawag-EA273458
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MSBNK-Eawag-EA273459
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