null
  CDK     0224162150
null
 26 30  0  0  0  0  0  0  0  0999 V2000
    5.0006   -5.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4927   -4.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8018   -3.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538   -3.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989   -2.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2919   -2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7399   -2.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948   -3.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4428   -4.2644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6509   -1.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960   -1.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4579   -1.9835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1253   -1.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927   -1.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997   -1.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1518   -2.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9587   -2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5108   -2.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2558   -3.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4488   -3.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8968   -3.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0898   -3.3812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5378   -2.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7128   -2.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1608   -3.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5014   -4.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  8  9  2  0  0  0  0 
  5 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 16  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 14  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 12  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25  4  1  0  0  0  0 
  3 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:91620

> <NAME>
LSM-1442

> <STAR>
2

> <FORMULA>
C20H16N2O4

> <MASS>
348.353

> <MONOISOTOPIC_MASS>
348.11101

> <CHARGE>
0

> <SMILES>
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O

> <INCHI>
InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3

> <INCHIKEY>
VSJKWCGYPAHWDS-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-1442

$$$$