109415
 OpenBabel05082101102D

 34 37  0  0  1  0  0  0  0  0999 V2000
    2.1219   -0.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4762    0.1247    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8751   -0.3841    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7350    1.0906    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1340    0.5818    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1035   -0.4673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9984    2.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7102   -0.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1268    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5883   -1.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4822   -0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063   -2.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9377    0.5387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5993   -0.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1044    1.5886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2263    1.1949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3162    2.6056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3853    2.1652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5672    1.0612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757    0.2692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3210   -1.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1493   -1.3611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7259    0.7909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0311    1.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9951   -1.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0962   -0.9863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201   -0.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0348   -0.0158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5870   -2.6047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4015   -2.4464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7982   -2.2369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
109415

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
262

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAaMGCAAwAAAAAAAYAAAAAAAAGgAAAAAADUSggAIAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwPAOgAAAAAAAAADAAAYAADAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
spiro[tetrahydrofuran-2,8'-tricyclo[5.2.1.02,6]decane]

>  <PUBCHEM_IUPAC_CAS_NAME>
spiro[oxolane-2,8'-tricyclo[5.2.1.02,6]decane]

>  <PUBCHEM_IUPAC_NAME_MARKUP>
spiro[oxolane-2,8&apos;-tricyclo[5.2.1.0<SUP>2,6</SUP>]decane]

>  <PUBCHEM_IUPAC_NAME>
spiro[oxolane-2,8'-tricyclo[5.2.1.02,6]decane]

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
spiro[oxolane-2,8'-tricyclo[5.2.1.02,6]decane]

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
spiro[tetrahydrofuran-2,8'-tricyclo[5.2.1.02,6]decane]

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H20O/c1-3-10-9-7-12(11(10)4-1)13(8-9)5-2-6-14-13/h9-12H,1-8H2

>  <PUBCHEM_IUPAC_INCHIKEY>
JDJZAKLOMAHING-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.1

>  <PUBCHEM_EXACT_MASS>
192.151415

>  <PUBCHEM_MOLECULAR_FORMULA>
C13H20O

>  <PUBCHEM_MOLECULAR_WEIGHT>
192.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2C(C1)C3CC2CC34CCCO4

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2C(C1)C3CC2CC34CCCO4

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
192.151415

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
14

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

>  <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>
2  7  3
3  9  3
4  7  3
5  10  3
6  11  3

$$$$
