5284499
 OpenBabel05082101102D

 55 54  0  0  0  0  0  0  0  0999 V2000
   14.1244   -2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 55  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 12  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 13  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 15  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 16  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 17  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 18  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 19  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  2  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5284499

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
175

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAEAIAAQAAQAAEgAAIAAOAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-octadec-9-en-1-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-9-octadecen-1-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-octadec-9-en-1-ol

>  <PUBCHEM_IUPAC_NAME>
(Z)-octadec-9-en-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-octadec-9-en-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-octadec-9-en-1-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-

>  <PUBCHEM_IUPAC_INCHIKEY>
ALSTYHKOOCGGFT-KTKRTIGZSA-N

>  <PUBCHEM_XLOGP3>
7.4

>  <PUBCHEM_EXACT_MASS>
268.276616

>  <PUBCHEM_MOLECULAR_FORMULA>
C18H36O

>  <PUBCHEM_MOLECULAR_WEIGHT>
268.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC=CCCCCCCCCO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC/C=C\CCCCCCCCO

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.276616

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
19

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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

$$$$
