62332
  CDK     0602212310

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.2364   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2 13  1  0  0  0  0 
  3 10  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  2  0  0  0  0 
  9 10  1  0  0  0  0 
  9 13  1  0  0  0  0 
  9 15  2  0  0  0  0 
 11 14  2  0  0  0  0 
 12 14  1  0  0  0  0 
 13 16  2  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 18  2  0  0  0  0 
M  END
> <ID>
CHEBI:173744

> <NAME>
Phenethyl salicylate

> <STAR>
2

> <IUPAC_NAME>
2-phenylethyl 2-hydroxybenzoate

> <FORMULA>
C15H14O3

> <MASS>
242.274

> <MONOISOTOPIC_MASS>
242.09429

> <CHARGE>
0

> <SMILES>
O(CCC1=CC=CC=C1)C(=O)C=2C(O)=CC=CC2

> <INCHI>
InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2

> <INCHIKEY>
YNMSDIQQNIRGDP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
87-22-9

> <CHEMIDPLUS>
87-22-9

$$$$