5283157
  -OEChem-09272320512D

 55 54  0     0  0  0  0  0  0999 V2000
    2.5369    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206   -0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 49  1  0  0  0  0
  2 23  1  0  0  0  0
  2 55  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  2  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 23  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 18  2  0  0  0  0
 15 44  1  0  0  0  0
 16 20  2  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  2  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5283157

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
378

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAIACAAAAgCIACDSCAAAAAAgAAAICAEAAAgAEBIAAQAAQAAEgAAIAAOIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z,8Z,11Z,14Z)-20-hydroxyeicosa-5,8,11,14-tetraenoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>Z</I>,8<I>Z</I>,11<I>Z</I>,14<I>Z</I>)-20-hydroxyicosa-5,8,11,14-tetraenoic acid

> <PUBCHEM_IUPAC_NAME>
(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z,8Z,11Z,14Z)-20-oxidanylicosa-5,8,11,14-tetraenoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z,8Z,11Z,14Z)-20-hydroxyeicosa-5,8,11,14-tetraenoic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-

> <PUBCHEM_IUPAC_INCHIKEY>
NNDIXBJHNLFJJP-DTLRTWKJSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
320.23514488

> <PUBCHEM_MOLECULAR_FORMULA>
C20H32O3

> <PUBCHEM_MOLECULAR_WEIGHT>
320.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CCC=CCC=CCC=CCC=CCCCC(=O)O)CCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)CCO

> <PUBCHEM_CACTVS_TPSA>
57.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
320.23514488

> <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>
4

> <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

$$$$