5281120
  -OEChem-04242417082D

 72 71  0     0  0  0  0  0  0999 V2000
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    3.4030   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2594    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7360    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0598   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7365   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4714   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8699   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9133    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5148    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.6020    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8705   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5474    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1 72  1  0  0  0  0
  2 26  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  3 28  1  0  0  0  0
  4  6  1  0  0  0  0
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  4 30  1  0  0  0  0
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 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 23  2  0  0  0  0
 21 63  1  0  0  0  0
 22 26  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 25  1  0  0  0  0
 24 67  1  0  0  0  0
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 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281120

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
309

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
21

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAQAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-tetracos-15-enoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-15-tetracosenoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-tetracos-15-enoic acid

> <PUBCHEM_IUPAC_NAME>
(Z)-tetracos-15-enoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-tetracos-15-enoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nervonic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-

> <PUBCHEM_IUPAC_INCHIKEY>
GWHCXVQVJPWHRF-KTKRTIGZSA-N

> <PUBCHEM_XLOGP3>
9.8

> <PUBCHEM_EXACT_MASS>
366.349780706

> <PUBCHEM_MOLECULAR_FORMULA>
C24H46O2

> <PUBCHEM_MOLECULAR_WEIGHT>
366.6

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

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

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.349780706

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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

$$$$