Marvin  12030714352D          

 13 13  0  0  0  0            999 V2000
    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
    0.0000   -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
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   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    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  2  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4 10  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  2  0  0  0  0
 12  6  1  0  0  0  0
  9  6  2  0  0  0  0
  8  6  1  0  0  0  0
  7 12  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  4  0  0  0
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:11594

> <NAME>
2-coumarate

> <DEFINITION>
A coumarate that is the conjugate base of 2-coumaric acid.

> <STAR>
3

> <SYNONYM>
3-(2-hydroxyphenyl)acrylate

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

> <FORMULA>
C9H7O3

> <MASS>
163.15008

> <MONOISOTOPIC_MASS>
163.04007

> <CHARGE>
-1

> <SMILES>
[H]C(=Cc1ccccc1O)C([O-])=O

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

> <INCHIKEY>
PMOWTIHVNWZYFI-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
7022193

> <GMELIN_REGISTRY_NUMBER>
1146630

$$$$