(2Z)-3-(4-hydroxyphenyl)prop-2-enoate
  CDK    2/12/10,15:27

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0 
 12  2  1  0  0  0  0 
  3  9  1  0  0  0  0 
  1  4  1  0  0  0  0 
  4  3  2  0  0  0  0 
  5  3  1  0  0  0  0 
  6  5  2  0  0  0  0 
  2  6  1  0  0  0  0 
  8  7  1  0  0  0  0 
 11  7  2  0  0  0  0 
 10  7  1  0  0  0  0 
  9  8  2  0  0  0  0 
M  CHG  1  10  -1
M  END
> <ID>
CHEBI:58152

> <NAME>
cis-4-coumarate

> <DEFINITION>
A hydroxy monocarboxylic acid anion that is the conjugate base of cis-4-coumaric acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
cis-4-coumarate(1-); cis-4-coumarate anion; Cis-4-coumarate; (Z)-p-hydroxycinnamate; (Z)-4-hydroxycinnamate; (2Z)-3-(4-hydroxyphenyl)acrylate

> <IUPAC_NAME>
(2Z)-3-(4-hydroxyphenyl)prop-2-enoate

> <FORMULA>
C9H7O3

> <MASS>
163.15010

> <MONOISOTOPIC_MASS>
163.04007

> <CHARGE>
-1

> <SMILES>
Oc1ccc(cc1)\C=C/C([O-])=O

> <INCHI>
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/p-1/b6-3-

> <INCHIKEY>
NGSWKAQJJWESNS-UTCJRWHESA-M

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