
 Dihomo-gamma-linolenic acid

 56 55  0  0  0  0  0  0  0  0999 V2000
   15.6088    2.5612    7.3168 C   0  0  0  0  0
   14.4308    3.2088    6.6068 C   0  0  0  0  0
   13.6769    2.2020    5.7386 C   0  0  0  0  0
   12.5012    2.8637    5.0182 C   0  0  0  0  0
   11.7773    1.8736    4.1038 C   0  0  0  0  0
   10.6481    2.5435    3.3742 C   0  0  0  0  0
   10.7102    2.8908    2.0787 C   0  0  0  0  0
    9.6145    3.5878    1.3274 C   0  0  0  0  0
    9.9638    5.0299    1.1033 C   0  0  0  0  0
   10.4095    5.5300   -0.0611 C   0  0  0  0  0
   10.7933    6.9661   -0.2685 C   0  0  0  0  0
   12.2859    7.1199   -0.2819 C   0  0  0  0  0
   13.0126    7.4290   -1.3676 C   0  0  0  0  0
   14.5088    7.5640   -1.3519 C   0  0  0  0  0
   15.1729    6.4008   -2.0902 C   0  0  0  0  0
   16.6978    6.5204   -2.0616 C   0  0  0  0  0
   17.3597    5.3341   -2.7647 C   0  0  0  0  0
   18.8834    5.4476   -2.7351 C   0  0  0  0  0
   19.5408    4.2614   -3.4287 C   0  0  0  0  0
   21.0341    4.4002   -3.4054 C   0  0  0  0  0
   21.7173    4.9844   -4.2293 O   0  0  0  0  0
   21.5945    3.8354   -2.3200 O   0  0  0  0  0
   16.1356    3.3005    7.9286 H   0  0  0  0  0
   16.3217    2.1471    6.5964 H   0  0  0  0  0
   15.2743    1.7522    7.9738 H   0  0  0  0  0
   14.7975    4.0350    5.9859 H   0  0  0  0  0
   13.7530    3.6401    7.3526 H   0  0  0  0  0
   13.3093    1.3782    6.3617 H   0  0  0  0  0
   14.3634    1.7689    5.0012 H   0  0  0  0  0
   12.8689    3.7115    4.4250 H   0  0  0  0  0
   11.7992    3.2717    5.7570 H   0  0  0  0  0
   11.3724    1.0417    4.6917 H   0  0  0  0  0
   12.4892    1.4383    3.3921 H   0  0  0  0  0
    9.7536    2.7639    3.9528 H   0  0  0  0  0
   11.6160    2.6841    1.5107 H   0  0  0  0  0
    8.6643    3.5342    1.8713 H   0  0  0  0  0
    9.4543    3.0682    0.3752 H   0  0  0  0  0
    9.8636    5.6847    1.9669 H   0  0  0  0  0
   10.5344    4.8716   -0.9184 H   0  0  0  0  0
   10.3825    7.6009    0.5260 H   0  0  0  0  0
   10.3481    7.3185   -1.2064 H   0  0  0  0  0
   12.7872    6.9536    0.6701 H   0  0  0  0  0
   12.5179    7.5874   -2.3236 H   0  0  0  0  0
   14.8809    7.6083   -0.3209 H   0  0  0  0  0
   14.7795    8.5153   -1.8255 H   0  0  0  0  0
   14.8267    6.3732   -3.1310 H   0  0  0  0  0
   14.8735    5.4516   -1.6278 H   0  0  0  0  0
   17.0438    6.5689   -1.0218 H   0  0  0  0  0
   17.0023    7.4551   -2.5481 H   0  0  0  0  0
   17.0146    5.2841   -3.8046 H   0  0  0  0  0
   17.0523    4.4010   -2.2768 H   0  0  0  0  0
   19.2314    5.5068   -1.6962 H   0  0  0  0  0
   19.1958    6.3797   -3.2225 H   0  0  0  0  0
   19.2238    4.1888   -4.4758 H   0  0  0  0  0
   19.2604    3.3147   -2.9515 H   0  0  0  0  0
   22.5517    4.0202   -2.4232 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 48  1  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 50  1  0  0  0
 17 51  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 56  1  0  0  0
M  END

>  <Chemical Name>
Dihomo-gamma-linolenic acid

>  <PubChem CID>
5280581

>  <Formula>
C20H34O2

>  <Molecular Weight>
306.490000

>  <IUPAC Name>
(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid

>  <XlogP>
7.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCCCCCCC(=O)O

>  <Isomeric SMILES>
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-

>  <InChI Key>
HOBAELRKJCKHQD-QNEBEIHSSA-N

