103719
 OpenBabel05082101102D

 28 30  0  0  1  0  0  0  0  0999 V2000
    6.8802   -1.6617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2401    0.6791    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9813   -0.2868    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2666    0.0608    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6086   -0.8789    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5035    1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802   -0.7957    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6390    0.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732    0.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237   -1.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802   -1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6095    1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4428    0.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1613    0.6718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -1.4126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8213    2.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904    1.7536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818   -1.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2330   -0.0075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8340    0.7588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    0.6421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6624    0.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442   -2.1085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -1.1443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802   -2.2817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5002   -1.6617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802   -1.0417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
103719

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
221

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMEAAAwAAAAAAAQAAAAAAAAGgAAAAAADRSggAICAAAABACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAEgAAIAAOAwPAOgAAAAAAAAABAAAYAADAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
9-methoxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
9-methoxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
9-methoxytricyclo[5.2.1.0<SUP>2,6</SUP>]dec-3-ene

>  <PUBCHEM_IUPAC_NAME>
9-methoxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9-methoxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-methoxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2,4,7-11H,3,5-6H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
QGIIMMFKVVKYGH-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.1

>  <PUBCHEM_EXACT_MASS>
164.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C11H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
164.24

>  <PUBCHEM_OPENEYE_CAN_SMILES>
COC1CC2CC1C3C2CC=C3

>  <PUBCHEM_OPENEYE_ISO_SMILES>
COC1CC2CC1C3C2CC=C3

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
164.120115

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <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>
7  1  3
2  6  3
3  6  3
4  9  3
5  10  3

$$$$
