Marvin  05060600062D          

 17 20  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1250   -1.2812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4 13  1  0  0  0  0
  3  8  2  0  0  0  0
  4  3  1  0  0  0  0
  7  4  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  1  0  0  0  0
 13  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 16 17  1  6  0  0  0
 15 17  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
> <ID>
CHEBI:35647

> <NAME>
hasubanan

> <STAR>
3

> <IUPAC_NAME>
hasubanan

> <FORMULA>
C16H21N

> <MASS>
227.34468

> <MONOISOTOPIC_MASS>
227.16740

> <CHARGE>
0

> <SMILES>
C1CC[C@]23CCN[C@@]2(C1)CCc1ccccc31

> <INCHI>
InChI=1S/C16H21N/c1-2-6-14-13(5-1)7-10-16-9-4-3-8-15(14,16)11-12-17-16/h1-2,5-6,17H,3-4,7-12H2/t15-,16+/m1/s1

> <INCHIKEY>
RKWPQIQYRNOTMT-CVEARBPZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1573964

$$$$