6438291
 OpenBabel05082101102D

 35 37  0  0  1  0  0  0  0  0999 V2000
    9.8802   -2.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2666    0.9268    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6086   -0.0128    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2401    1.5451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9813    0.5792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5035    2.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390    1.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732    0.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237   -0.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802    0.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802   -0.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802   -0.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3802   -1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3802   -1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1613    1.5379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -0.5466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6095    2.0431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4428    0.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8213    3.0601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904    2.6197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2330    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8340    1.6248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    1.5082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6624    0.9964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -1.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534   -1.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4251    0.1659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088   -0.6136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5702   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628   -0.5836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7726   -0.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7976   -1.8737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879   -2.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6902   -1.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  2  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  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 15  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
M  END
>  <PUBCHEM_COMPOUND_CID>
6438291

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
292

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMGAAAwAAAAAAAYAAAAAAAAGgAAAAAADQCggAIAAAAAAACIAihSgAAAAAAgAAAACAEAAAgAABIAAQAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(4E)-4-(8-tricyclo[5.2.1.02,6]decanylidene)butanal

>  <PUBCHEM_IUPAC_CAS_NAME>
(4E)-4-(8-tricyclo[5.2.1.02,6]decanylidene)butanal

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>E</I>)-4-(8-tricyclo[5.2.1.0<SUP>2,6</SUP>]decanylidene)butanal

>  <PUBCHEM_IUPAC_NAME>
(4E)-4-(8-tricyclo[5.2.1.02,6]decanylidene)butanal

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4E)-4-(8-tricyclo[5.2.1.02,6]decanylidene)butanal

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4E)-4-(8-tricyclo[5.2.1.02,6]decanylidene)butyraldehyde

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H20O/c15-7-2-1-4-10-8-11-9-14(10)13-6-3-5-12(11)13/h4,7,11-14H,1-3,5-6,8-9H2/b10-4+

>  <PUBCHEM_IUPAC_INCHIKEY>
WFEISWUNAJPLRX-ONNFQVAWSA-N

>  <PUBCHEM_XLOGP3_AA>
2.8

>  <PUBCHEM_EXACT_MASS>
204.151415

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H20O

>  <PUBCHEM_MOLECULAR_WEIGHT>
204.31

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2C(C1)C3CC2CC3=CCCC=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2C(C1)C\3CC2C/C3=C\CCC=O

>  <PUBCHEM_CACTVS_TPSA>
17.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.151415

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <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  8  3
3  9  3
4  6  3
5  6  3

$$$$
