106963
 OpenBabel05082101102D

 40 43  0  0  1  0  0  0  0  0999 V2000
    3.8084   -2.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.1412    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9180    0.3588    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8001   -1.1827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9180    1.3588    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9021   -1.7105    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8974    0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4974    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520    0.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623   -0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    2.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5941   -2.2486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4494    0.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246    0.9117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035    0.4372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964   -0.2495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.2238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607    0.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002    1.3004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5289    1.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -1.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -1.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1826    2.3337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855    2.3337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607    1.2511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    1.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620    1.3957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151    1.1688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    0.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9764   -1.2106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1968   -0.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481   -0.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550    2.5348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080    2.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8811    1.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
106963

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
364

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAEgAAAYAAAAAwYAAABogAAGDAAAAAGgAAAAAADlSggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwPAPgAAAAAAAAABAAAYAADAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,7,8-trimethyl-3-oxatetracyclo[6.3.2.01,7.02,4]tridecane

>  <PUBCHEM_IUPAC_CAS_NAME>
2,7,8-trimethyl-3-oxatetracyclo[6.3.2.01,7.02,4]tridecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,7,8-trimethyl-3-oxatetracyclo[6.3.2.0<SUP>1,7</SUP>.0<SUP>2,4</SUP>]tridecane

>  <PUBCHEM_IUPAC_NAME>
2,7,8-trimethyl-3-oxatetracyclo[6.3.2.01,7.02,4]tridecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,7,8-trimethyl-3-oxatetracyclo[6.3.2.01,7.02,4]tridecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,7,8-trimethyl-3-oxatetracyclo[6.3.2.01,7.02,4]tridecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-12-6-4-7-15(10-9-12)13(12,2)8-5-11-14(15,3)16-11/h11H,4-10H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
HDKRRWIYNADEKA-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4

>  <PUBCHEM_EXACT_MASS>
220.182715

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

>  <PUBCHEM_MOLECULAR_WEIGHT>
220.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCCC3(C1(CCC4C3(O4)C)C)CC2

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC12CCCC3(C1(CCC4C3(O4)C)C)CC2

>  <PUBCHEM_CACTVS_TPSA>
12.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <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  9  3
3  14  3
4  15  3
5  16  3
6  11  3

$$$$
