ISISHOST03240423222D 1   1.00000     0.00000  8280

 21 25  0     0  0            999 V2000
    1.8272  -11.9216    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8301  -12.7507    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5519  -13.1607    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5461  -11.5024    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2637  -11.9166    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2632  -12.7477    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0537  -13.0039    0.0000 N   0  5  0  0  0  0           0  0  0
    4.0546  -11.6574    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5360  -12.3310    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2184  -10.8194    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3937  -10.9016    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7039  -11.4931    0.0000 N   0  3  0  0  0  0           0  0  0
    5.3586  -12.2453    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8400  -12.9190    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5265  -11.4146    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0038  -12.0883    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6626  -12.8368    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1408  -13.5086    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9602  -13.4319    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8231  -12.0115    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2997  -12.6842    0.0000 C   0  0  0  0  0  0           0  0  0
  8  9  2  0     0  0
  9 13  1  0     0  0
 12 10  1  0     0  0
 10 11  2  0     0  0
 11  8  1  0     0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 17  2  0     0  0
 16 15  2  0     0  0
 15 12  1  0     0  0
  7  9  1  0     0  0
  8  5  1  0     0  0
  3  6  1  0     0  0
  5  4  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 21  1  0     0  0
 20 16  1  0     0  0
  4  1  2  0     0  0
 20 21  1  0     0  0
M  CHG  2   7  -1  12   1
M  END
> <ID>
CHEBI:9104

> <NAME>
Sempervirine

> <STAR>
2

> <SYNONYM>
Sempervirine

> <FORMULA>
C19H16N2

> <MASS>
272.344

> <MONOISOTOPIC_MASS>
272.13135

> <CHARGE>
0

> <SMILES>
C1CCc2c[n+]3ccc4c5ccccc5[n-]c4c3cc2C1

> <INCHI>
InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-12H,1-2,5-6H2

> <INCHIKEY>
UQVUEULZDJRMJR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6882-99-1

> <KEGG_COMPOUND_ACCESSION>
C09240

> <KNAPSACK_ACCESSION>
C00001768

$$$$