ISISHOST03240423282D 1   1.00000     0.00000 11974

 21 22  0     0  0            999 V2000
    0.5500   -7.1835    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5541   -6.3543    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1624   -5.9340    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8831   -6.3471    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8873   -7.1763    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1708   -7.5924    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1291   -8.4168    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1291   -7.5876    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4088   -7.1751    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6926   -7.5876    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6926   -8.4168    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4088   -8.8335    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9833   -7.1793    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2666   -7.5918    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.1749   -8.4215    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2748   -5.9412    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9823   -6.3501    0.0000 O   0  0  0  0  0  0           0  0  0
    4.8458   -8.8335    0.0000 N   0  0  0  0  0  0           0  0  0
    5.5625   -8.4210    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2791   -8.8376    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5643   -7.5918    0.0000 O   0  0  0  0  0  0           0  0  0
 10 13  1  0     0  0
 13 14  1  0     0  0
 14  1  1  0     0  0
  1  2  2  0     0  0
  6 15  1  0     0  0
  2  3  1  0     0  0
  2 16  1  0     0  0
  3  4  2  0     0  0
 13 17  2  0     0  0
  4  5  1  0     0  0
  7 18  1  0     0  0
  5  6  2  0     0  0
 18 19  1  0     0  0
  7  8  2  0     0  0
 19 20  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 19 21  2  0     0  0
 12  7  1  0     0  0
  6  1  1  0     0  0
M  END
> <ID>
CHEBI:7421

> <NAME>
NAC

> <STAR>
2

> <SYNONYM>
NAC

> <FORMULA>
C17H18N2O2

> <MASS>
282.338

> <MONOISOTOPIC_MASS>
282.13683

> <CHARGE>
0

> <SMILES>
CC(=O)Nc1ccc(cc1)C(=O)Nc1c(C)cccc1C

> <INCHI>
InChI=1S/C17H18N2O2/c1-11-5-4-6-12(2)16(11)19-17(21)14-7-9-15(10-8-14)18-13(3)20/h4-10H,1-3H3,(H,18,20)(H,19,21)

> <INCHIKEY>
WWMCCCSLQVOFKE-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C11486

$$$$