91711829
  DSViewer          3D                             0

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.5360   -1.3861    0.0875 C   0  0  3  0  0  0  0  0  0  1
    1.2914   -0.6391    0.1055 C   0  0  3  0  0  0  0  0  0  2
    2.0607   -0.7266   -1.2958 C   0  0  3  0  0  0  0  0  0  3
    3.5896   -0.6389    1.0852 C   0  0  3  0  0  0  0  0  0  4
    3.0553    0.8612    0.8195 C   0  0  3  0  0  0  0  0  0  5
    1.5144    0.6271    0.9402 C   0  0  0  0  0  0  0  0  0  6
    3.5901    1.1572   -0.6782 C   0  0  3  0  0  0  0  0  0  7
    3.3359   -0.0850   -1.5748 C   0  0  0  0  0  0  0  0  0  8
    5.1675   -0.9755    0.7390 C   0  0  0  0  0  0  0  0  0  9
    2.4516   -2.9224    0.0992 C   0  0  0  0  0  0  0  0  0 10
    5.2065    1.3391   -0.6878 C   0  0  3  0  0  0  0  0  0 11
    3.2394   -1.0820    2.5224 C   0  0  0  0  0  0  0  0  0 12
    3.4184    1.9804    1.8576 C   0  0  0  0  0  0  0  0  0 13
    5.8937    0.3512    0.4123 C   0  0  0  0  0  0  0  0  0 14
    5.7375    2.7397   -0.2661 C   0  0  0  0  0  0  0  0  0 15
    0.3457   -1.1963    0.1546 H   0  0  0  0  0  0  0  0  0 16
    1.8065   -1.5702   -1.9516 H   0  0  0  0  0  0  0  0  0 17
    0.9570    1.4694    0.5305 H   0  0  0  0  0  0  0  0  0 18
    1.2226    0.4681    1.9784 H   0  0  0  0  0  0  0  0  0 19
    3.1054    2.0239   -1.1510 H   0  0  0  0  0  0  0  0  0 20
    4.1342   -0.8073   -1.4045 H   0  0  0  0  0  0  0  0  0 21
    3.3467    0.2300   -2.6183 H   0  0  0  0  0  0  0  0  0 22
    5.6392   -1.4501    1.5994 H   0  0  0  0  0  0  0  0  0 23
    5.2205   -1.6444   -0.1200 H   0  0  0  0  0  0  0  0  0 24
    3.4574   -3.3422    0.0834 H   0  0  0  0  0  0  0  0  0 25
    1.9024   -3.2633   -0.7784 H   0  0  0  0  0  0  0  0  0 26
    1.9352   -3.2515    1.0010 H   0  0  0  0  0  0  0  0  0 27
    5.5286    1.1869   -1.7279 H   0  0  0  0  0  0  0  0  0 28
    3.9211   -0.6050    3.2265 H   0  0  0  0  0  0  0  0  0 29
    3.3343   -2.1650    2.6026 H   0  0  0  0  0  0  0  0  0 30
    2.2153   -0.7893    2.7541 H   0  0  0  0  0  0  0  0  0 31
    2.9866    2.9283    1.5367 H   0  0  0  0  0  0  0  0  0 32
    4.5021    2.0789    1.9224 H   0  0  0  0  0  0  0  0  0 33
    3.0192    1.7126    2.8359 H   0  0  0  0  0  0  0  0  0 34
    5.9822    0.9118    1.3429 H   0  0  0  0  0  0  0  0  0 35
    6.8879    0.0964    0.0450 H   0  0  0  0  0  0  0  0  0 36
    6.8265    2.7443   -0.3100 H   0  0  0  0  0  0  0  0  0 37
    5.4145    2.9600    0.7514 H   0  0  0  0  0  0  0  0  0 38
    5.3439    3.4972   -0.9439 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 16  1  0  0  0
  3  8  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 12  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 13  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  7 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 14  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 14  1  0  0  0
 11 15  1  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
91711829

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
346

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAYAAAAAwYMAAAAAYAAAAAAAAGAAAAAAADwCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-9-5-6-14(3)13(2)8-12-11(7-10(9)13)15(12,14)4/h9-12H,5-8H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
XPWRIXBORAHMCD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2(C3(C1CC4C2(C4C3)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2(C3(C1CC4C2(C4C3)C)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
7

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  10  3
11  15  3
2  6  3
3  8  3
4  12  3
5  13  3
7  8  3

$$$$