Marvin  11051011232D          

 18 19  0  0  0  0            999 V2000
    7.4050   -9.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9858   -9.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7060   -9.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656   -9.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4050   -8.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5666   -9.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8676   -9.4298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1040   -9.4298    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1686   -9.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9858   -8.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656   -7.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5666   -8.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7060  -10.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686   -8.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -9.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494   -9.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -7.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494   -8.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  1  2  0  0  0  0
  8  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
 10  2  1  0  0  0  0
 13  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
 12  6  2  0  0  0  0
  9  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 17 14  2  0  0  0  0
 16 15  1  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:60566

> <NAME>
fenoprofen(1-)

> <DEFINITION>
The conjugate base of fenoprofen.

> <STAR>
3

> <SYNONYM>
alpha-methyl-3-phenoxybenzeneacetate; alpha-(m-phenoxyphenyl)propionate; 2-(m-phenoxyphenyl)propionate; 2-(3-phenoxyphenyl)propionate; (+-)-m-phenoxyhydratropate; (+-)-2-(3-phenoxyphenyl)propionate

> <IUPAC_NAME>
2-(3-phenoxyphenyl)propanoate

> <FORMULA>
C15H13O3

> <MASS>
241.26190

> <MONOISOTOPIC_MASS>
241.08702

> <CHARGE>
-1

> <SMILES>
CC(C([O-])=O)c1cccc(Oc2ccccc2)c1

> <INCHI>
InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/p-1

> <INCHIKEY>
RDJGLLICXDHJDY-UHFFFAOYSA-M

$$$$