57347404
 OpenBabel05082101102D

 57 55  0  0  0  0  0  0  0  0999 V2000
   10.0632    4.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    5.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    4.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    5.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    5.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    5.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    5.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    5.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    6.3219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    5.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5307    6.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1982    5.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8681    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 20  1  0  0  0  0
  2 50  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  1  0  0  0  0
  4 55  1  0  0  0  0
  5 22  1  0  0  0  0
  5 56  1  0  0  0  0
  6 23  1  0  0  0  0
  6 57  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  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 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
57347404

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
237

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
4

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
14

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgAIAICQCAAAAAAAAAAAAAEAAAABEBYIAAAAQAAFIAABAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
glycerol;3-oxotetradecanoic acid

>  <PUBCHEM_IUPAC_CAS_NAME>
3-oxotetradecanoic acid;propane-1,2,3-triol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3-oxotetradecanoic acid;propane-1,2,3-triol

>  <PUBCHEM_IUPAC_NAME>
3-oxotetradecanoic acid;propane-1,2,3-triol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-oxidanylidenetetradecanoic acid;propane-1,2,3-triol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
glycerol;3-ketomyristic acid

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H26O3.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17;4-1-3(6)2-5/h2-12H2,1H3,(H,16,17);3-6H,1-2H2

>  <PUBCHEM_IUPAC_INCHIKEY>
OBUIJXGSLHKGIH-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
334.235539

>  <PUBCHEM_MOLECULAR_FORMULA>
C17H34O6

>  <PUBCHEM_MOLECULAR_WEIGHT>
334.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCC(=O)CC(=O)O.C(C(CO)O)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCC(=O)CC(=O)O.C(C(CO)O)O

>  <PUBCHEM_CACTVS_TPSA>
115

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.235539

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
23

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
