CDK     1030232203

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.8579   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7144   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5519   -3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535   -2.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908   -4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2967   -3.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -4.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  6  3  1  0  0  0  0 
  4  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  6 12  1  1  0  0  0 
  7 13  1  0  0  0  0 
  8 14  2  0  0  0  0 
 10 15  1  0  0  0  0 
 10 16  2  0  0  0  0 
 11 17  2  0  0  0  0 
 13 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 20 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 22 24  2  0  0  0  0 
 23 25  2  0  0  0  0 
  7  9  1  0  0  0  0 
 11 15  1  0  0  0  0 
 18 19  2  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:223956

> <NAME>
Oxepinamide K

> <STAR>
2

> <IUPAC_NAME>
(4Z,7R)-4-benzylidene-7-methyl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione

> <FORMULA>
C19H15N3O3

> <MASS>
333.347

> <MONOISOTOPIC_MASS>
333.11134

> <CHARGE>
0

> <SMILES>
O=C1N2C(=NC3=C1C=CC=CO3)/C(/NC([C@H]2C)=O)=C/C4=CC=CC=C4

> <INCHI>
InChI=1S/C19H15N3O3/c1-12-17(23)20-15(11-13-7-3-2-4-8-13)16-21-18-14(19(24)22(12)16)9-5-6-10-25-18/h2-12H,1H3,(H,20,23)/b15-11-/t12-/m1/s1

> <INCHIKEY>
CJYUEDLQBHFMDJ-QJMZJAKPSA-N

$$$$