Ketcher 05282122132D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
    8.4515  -38.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4516  -39.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3176  -37.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9157  -39.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3176  -39.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1837  -38.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0497  -39.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9157  -38.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1837  -39.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0497  -37.5296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  5  2  1  0     0  0
  6  3  2  0     0  0
  4  7  2  0     0  0
  8  4  1  0     0  0
  9  5  2  0     0  0
  9  6  1  0     0  0
  9  7  1  0     0  0
 10  8  2  0     0  0
M  END
> <ID>
CHEBI:89729

> <NAME>
(Z)-3-phenyl-2-propenal

> <DEFINITION>
A 3-phenylprop-2-enal that has Z configuration.

> <STAR>
3

> <SYNONYM>
cis-cinnamic aldehyde; cis-cinnamaldehyde; (Z)-cinnamaldehyde; (Z)-3-phenyl-2-propenal

> <IUPAC_NAME>
(2Z)-3-phenylprop-2-enal; (2Z)-3-phenylacrylaldehyde

> <FORMULA>
C9H8O

> <MASS>
132.162

> <MONOISOTOPIC_MASS>
132.05751

> <CHARGE>
0

> <SMILES>
O=C\C=C/C1=CC=CC=C1

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

> <INCHIKEY>
KJPRLNWUNMBNBZ-DAXSKMNVSA-N

> <CAS_REGISTRY_NUMBER>
57194-69-1

> <CHEMIDPLUS>
57194-69-1

> <NIST_CHEMISTRY_WEBBOOK>
57194-69-1

> <PDBECHEM_ACCESSION>
9Y3

> <AGRICOLA_CITATION>
IND44147048; IND44193322

> <PUBMED_CITATION>
19167006; 21707253; 24421258; 31887389

$$$$