5281119
  -OEChem-04292400182D

 42 41  0     0  0  0  0  0  0999 V2000
    2.5369   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5866    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2753    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6738    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4526    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2392    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6192    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 42  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 15  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
185

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAQAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-tetradec-9-enoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-9-tetradecenoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-tetradec-9-enoic acid

> <PUBCHEM_IUPAC_NAME>
(Z)-tetradec-9-enoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-tetradec-9-enoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
myristoleic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-

> <PUBCHEM_IUPAC_INCHIKEY>
YWWVWXASSLXJHU-WAYWQWQTSA-N

> <PUBCHEM_XLOGP3>
5.1

> <PUBCHEM_EXACT_MASS>
226.193280068

> <PUBCHEM_MOLECULAR_FORMULA>
C14H26O2

> <PUBCHEM_MOLECULAR_WEIGHT>
226.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCC=CCCCCCCCC(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC/C=C\CCCCCCCC(=O)O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
226.193280068

> <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>
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

$$$$
