15405344
 OpenBabel05082101102D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5878    2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5878    0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8400    2.6745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0508    2.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0508    0.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8400   -0.0764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    2.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923    2.7756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1554    1.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6678    2.4055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6678    0.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1554    0.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077    2.7756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174    2.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077    0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174   -0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923   -1.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -1.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
15405344

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
305

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADgSAgAAAAAAAAACIAqBSAAAAAAAgAAAICAEAAEgAABIAAQAAAAAAgAAIAYMIiMCPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one

>  <PUBCHEM_IUPAC_CAS_NAME>
1-(9-spiro[4.5]dec-8-enyl)-4-penten-1-one

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one

>  <PUBCHEM_IUPAC_NAME>
1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22O/c1-2-3-8-14(16)13-7-6-11-15(12-13)9-4-5-10-15/h2,7H,1,3-6,8-12H2

>  <PUBCHEM_IUPAC_INCHIKEY>
WPFFGMCNILGTEA-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4.4

>  <PUBCHEM_EXACT_MASS>
218.167065

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H22O

>  <PUBCHEM_MOLECULAR_WEIGHT>
218.33

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCCC(=O)C1=CCCC2(C1)CCCC2

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCCC(=O)C1=CCCC2(C1)CCCC2

>  <PUBCHEM_CACTVS_TPSA>
17.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.167065

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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

$$$$
