ChEBI
  Marvin  01201117542D          

 10 10  0  0  0  0            999 V2000
   -1.4614   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -2.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -3.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614   -3.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470   -3.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470   -2.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0325   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820   -2.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3965   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109   -2.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <ID>
CHEBI:16731

> <NAME>
(E)-cinnamaldehyde

> <DEFINITION>
The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:181858; CHEBI:3709; CHEBI:13994; CHEBI:23244

> <SYNONYM>
trans-Cinnamic aldehyde; Cinnamaldehyde; 3-phenylacrylaldehyde; (E)-phenylvinyl aldehyde; (E)-Cinnamic aldehyde; (E)-cinnamaldehyde; (E)-Cinnamaldehyde; (E)-3-Phenylpropenal; (E)-3-Phenyl-propenal; (E)-3-Phenyl-2-propenal

> <IUPAC_NAME>
(3E)-3-phenylprop-2-enal

> <FORMULA>
C9H8O

> <MASS>
132.15920

> <MONOISOTOPIC_MASS>
132.05751

> <CHARGE>
0

> <SMILES>
O=C\C=C\c1ccccc1

> <INCHI>
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

> <INCHIKEY>
KJPRLNWUNMBNBZ-QPJJXVBHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1071571

> <CAS_REGISTRY_NUMBER>
14371-10-9

> <REAXYS_REGISTRY_NUMBER>
1071571

> <CHEMIDPLUS>
14371-10-9

> <KEGG_COMPOUND_ACCESSION>
C00903

> <KNAPSACK_ACCESSION>
C00035187

> <NIST_CHEMISTRY_WEBBOOK>
14371-10-9

> <WIKIPEDIA_ACCESSION>
Cinnamaldehyde

> <PUBMED_CITATION>
11975643; 17140783; 17662960; 18218683; 19845671; 20431333; 20955755; 21266172; 21388814; 21394803; 21466812; 21469739; 21517069; 21603596; 21708228; 21767279; 21788726; 29079364

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