Marvin  07240611152D          

 21 24  0  0  0  0            999 V2000
    0.4260   -1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565    0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6651    0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4219   -0.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176   -0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694   -1.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694   -0.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1404   -0.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1404   -1.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885   -1.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996    0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8349    1.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122    1.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5489    1.0299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885   -0.1984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0030   -0.6109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260    0.2141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1404    0.6266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 10  1  0  0  0  0
 18 13  1  0  0  0  0
 13  1  1  0  0  0  0
  1 11  1  0  0  0  0
  2 18  1  0  0  0  0
 18 20  1  0  0  0  0
  6  2  2  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  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
  7  8  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12  7  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 20 17  1  0  0  0  0
 17 16  1  0  0  0  0
 15 16  1  0  0  0  0
 18 19  1  1  0  0  0
 20 21  1  1  0  0  0
M  END
> <ID>
CHEBI:36325

> <NAME>
rheadan

> <STAR>
3

> <IUPAC_NAME>
rheadan

> <FORMULA>
C17H17NO

> <MASS>
251.32302

> <MONOISOTOPIC_MASS>
251.13101

> <CHARGE>
0

> <SMILES>
[H][C@]12NCCc3ccccc3[C@@]1([H])OCc1ccccc21

> <INCHI>
InChI=1S/C17H17NO/c1-4-8-15-12(5-1)9-10-18-16-14-7-3-2-6-13(14)11-19-17(15)16/h1-8,16-18H,9-11H2/t16-,17-/m1/s1

> <INCHIKEY>
CNCWDNRLFCEIRN-IAGOWNOFSA-N

$$$$