6428985
 OpenBabel05082101102D

 33 34  0  0  1  0  0  0  0  0999 V2000
    4.5878   -0.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479    1.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388   -0.4330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5388    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1428   -1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    1.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508    1.1860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4418   -1.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6678   -1.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5413   -2.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177   -1.1666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    1.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    2.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631    2.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834   -1.5224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494   -1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7123   -0.5192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 12  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 18  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6428985

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
363

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADlSggAICAAAABACIAqBSAAIAAAAgAAAICAFAAAgIBBYAIQQCEAAE4AAIoAOIwFAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one

>  <PUBCHEM_IUPAC_CAS_NAME>
2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one

>  <PUBCHEM_IUPAC_NAME>
2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H18O2/c1-9-6-5-7-12(3,4)13(9)8-11(14)10(2)15-13/h5-7,10H,8H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
XGVYEIAYIQAWHE-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.2

>  <PUBCHEM_EXACT_MASS>
206.13068

>  <PUBCHEM_MOLECULAR_FORMULA>
C13H18O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
206.28

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(=O)CC2(O1)C(=CC=CC2(C)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C(=O)CC2(O1)C(=CC=CC2(C)C)C

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
206.13068

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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>
3  5  3
7  15  3

$$$$
