345278
  CDK     1105211251

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.3645    2.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2 15  1  0  0  0  0 
  3 15  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  2  0  0  0  0 
 12 14  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:183418

> <NAME>
4-morpholinobenzoic acid

> <STAR>
2

> <IUPAC_NAME>
4-morpholin-4-ylbenzoic acid

> <FORMULA>
C11H13NO3

> <MASS>
207.229

> <MONOISOTOPIC_MASS>
207.08954

> <CHARGE>
0

> <SMILES>
O1CCN(CC1)C2=CC=C(C=C2)C(O)=O

> <INCHI>
InChI=1S/C11H13NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)

> <INCHIKEY>
XVAJKPNTGSKZSQ-UHFFFAOYSA-N

$$$$