Marvin  09230623392D          

 16 19  0  0  0  0            999 V2000
   -0.3670    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3669    1.3684    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3932    1.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6112    2.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475    2.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    1.1135    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8662   -0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660    1.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5806    1.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5806    0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422    0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377    2.0969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4850    1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1179    0.7009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1517    0.2885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1517   -0.5365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  5  2  1  0  0  0  0
  2 14  1  0  0  0  0
 12  3  1  6  0  0  0
 12  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
 15  6  1  0  0  0  0
  7 15  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6  2  1  0  0  0  0
 14 11  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 14  3  1  6  0  0  0
 15 16  1  1  0  0  0
M  END
> <ID>
CHEBI:36613

> <NAME>
gibbane

> <STAR>
3

> <IUPAC_NAME>
gibbane

> <FORMULA>
C15H24

> <MASS>
204.35106

> <MONOISOTOPIC_MASS>
204.18780

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCCCC1C1CC[C@H]3CC[C@@]1(C3)C2

> <INCHI>
InChI=1S/C15H24/c1-2-4-13-12(3-1)10-15-8-7-11(9-15)5-6-14(13)15/h11-14H,1-10H2/t11-,12-,13?,14?,15+/m0/s1

> <INCHIKEY>
BRIUXPNFDNMNPK-APSKQVOWSA-N

$$$$