9887748
  -OEChem-04242423472D

 69 69  0     0  0  0  0  0  0999 V2000
    7.1962   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3426    1.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9841    2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    1.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    3.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    3.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    3.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -1.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 30  1  0  0  0  0
  2 69  1  0  0  0  0
  3 13  1  0  0  0  0
  3 17  1  0  0  0  0
  3 53  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 11  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 12  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 13  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 15  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 14  2  0  0  0  0
 11 45  1  0  0  0  0
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 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
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 14 49  1  0  0  0  0
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 15 50  1  0  0  0  0
 16 21  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 24  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
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 23 28  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
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 24 61  1  0  0  0  0
 25 28  2  0  0  0  0
 25 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 68  1  0  0  0  0
 29 30  1  0  0  0  0
 29 67  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9887748

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
547

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADAyBmAAyxoLAAgCIAiVSUACCAAAhIgAIiAEGbIgIJjLCkZOEcAhk1BHI2Ae4wBAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z,8Z,11Z,14Z)-N-(4-hydroxy-2-methyl-phenyl)icosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z,8Z,11Z,14Z)-N-(4-hydroxy-2-methylphenyl)eicosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>Z</I>,8<I>Z</I>,11<I>Z</I>,14<I>Z</I>)-<I>N</I>-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_NAME>
(5Z,8Z,11Z,14Z)-N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z,8Z,11Z,14Z)-N-(2-methyl-4-oxidanyl-phenyl)icosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z,8Z,11Z,14Z)-N-(4-hydroxy-2-methyl-phenyl)eicosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26-22-21-25(29)23-24(26)2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30)/b8-7-,11-10-,14-13-,17-16-

> <PUBCHEM_IUPAC_INCHIKEY>
WUZWFRWVRHLXHZ-ZKWNWVNESA-N

> <PUBCHEM_XLOGP3>
6.7

> <PUBCHEM_EXACT_MASS>
409.298079487

> <PUBCHEM_MOLECULAR_FORMULA>
C27H39NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
409.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1=C(C=C(C=C1)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1=C(C=C(C=C1)O)C

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
409.298079487

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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

> <PUBCHEM_BONDANNOTATIONS>
17  18  8
17  22  8
18  24  8
22  29  8
24  30  8
29  30  8

$$$$