73353637
  -OEChem-04282423182D

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    2.0000   -5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6728    4.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157    4.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  1  0  0  0  0
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  5  7  1  0  0  0  0
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  5 33  1  0  0  0  0
  6  8  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
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 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
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 29 68  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
73353637

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
481

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADATBmAYyBoLABACIAiFSEACCCAAgIAAIiIEODIgMJjKEsRuEMChk1hGIqAe4yJCOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(9Z,12Z,15Z)-N-[(3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide

> <PUBCHEM_IUPAC_CAS_NAME>
(9Z,12Z,15Z)-N-[(3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(9<I>Z</I>,12<I>Z</I>,15<I>Z</I>)-<I>N</I>-[(3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide

> <PUBCHEM_IUPAC_NAME>
(9Z,12Z,15Z)-N-[(3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(9Z,12Z,15Z)-N-[(3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(9Z,12Z,15Z)-N-m-anisyloctadeca-9,12,15-trienamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-

> <PUBCHEM_IUPAC_INCHIKEY>
XKHCEDYSKNATME-YSTUJMKBSA-N

> <PUBCHEM_XLOGP3_AA>
7.1

> <PUBCHEM_EXACT_MASS>
397.298079487

> <PUBCHEM_MOLECULAR_FORMULA>
C26H39NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
397.6

> <PUBCHEM_REFERENCE_STANDARDIZATION>
Bypass - this structure was created from CID 73353637

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC=CCC=CCC=CCCCCCCCC(=O)NCC1=CC(=CC=C1)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCC1=CC(=CC=C1)OC

> <PUBCHEM_CACTVS_TPSA>
38.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
397.298079487

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

> <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>
15  17  8
15  18  8
17  20  8
18  21  8
20  22  8
21  22  8

$$$$
