
 Anandamide

 62 61  0  0  0  0  0  0  0  0999 V2000
   15.8188    0.2634   -5.0713 C   0  0  0  0  0
   14.6200    0.8579   -4.3501 C   0  0  0  0  0
   13.7688    1.7144   -5.2875 C   0  0  0  0  0
   12.5712    2.3164   -4.5508 C   0  0  0  0  0
   11.7453    3.2185   -5.4692 C   0  0  0  0  0
   10.5928    3.8299   -4.7247 C   0  0  0  0  0
   10.5807    5.1052   -4.3054 C   0  0  0  0  0
    9.4627    5.7420   -3.5341 C   0  0  0  0  0
    9.8378    5.8981   -2.0894 C   0  0  0  0  0
   10.2965    7.0384   -1.5476 C   0  0  0  0  0
   10.7093    7.1859   -0.1125 C   0  0  0  0  0
   12.2028    7.1300    0.0181 C   0  0  0  0  0
   12.9877    8.2023    0.2122 C   0  0  0  0  0
   14.4849    8.1438    0.2931 C   0  0  0  0  0
   15.0967    8.5232   -1.0230 C   0  0  0  0  0
   15.7033    9.6939   -1.2724 C   0  0  0  0  0
   16.2720   10.0614   -2.6122 C   0  0  0  0  0
   15.3879   11.0931   -3.3116 C   0  0  0  0  0
   15.9825   11.5150   -4.6520 C   0  0  0  0  0
   15.2269   12.6898   -5.2307 C   0  0  0  0  0
   14.3537   12.5411   -6.0836 O   0  0  0  0  0
   15.4914   13.9447   -4.7633 N   0  0  0  0  0
   16.5753   14.3664   -3.8963 C   0  0  0  0  0
   17.8559   14.6878   -4.6667 C   0  0  0  0  0
   18.8913   15.0771   -3.7720 O   0  0  0  0  0
   16.4137   -0.3426   -4.3807 H   0  0  0  0  0
   16.4641    1.0506   -5.4743 H   0  0  0  0  0
   15.5002   -0.3780   -5.8990 H   0  0  0  0  0
   14.9734    1.4660   -3.5091 H   0  0  0  0  0
   14.0125    0.0473   -3.9313 H   0  0  0  0  0
   13.4151    1.1044   -6.1275 H   0  0  0  0  0
   14.3846    2.5187   -5.7082 H   0  0  0  0  0
   12.9288    2.8963   -3.6900 H   0  0  0  0  0
   11.9409    1.5107   -4.1537 H   0  0  0  0  0
   11.3521    2.6414   -6.3145 H   0  0  0  0  0
   12.3858    4.0011   -5.8944 H   0  0  0  0  0
    9.7471    3.1801   -4.5109 H   0  0  0  0  0
   11.4390    5.7443   -4.5069 H   0  0  0  0  0
    8.5449    5.1456   -3.5993 H   0  0  0  0  0
    9.2298    6.7133   -3.9870 H   0  0  0  0  0
    9.7494    5.0061   -1.4728 H   0  0  0  0  0
   10.4142    7.9217   -2.1726 H   0  0  0  0  0
   10.2710    6.3949    0.5075 H   0  0  0  0  0
   10.3131    8.1329    0.2732 H   0  0  0  0  0
   12.6544    6.1452   -0.0858 H   0  0  0  0  0
   12.5411    9.1917    0.2853 H   0  0  0  0  0
   14.8260    7.1375    0.5645 H   0  0  0  0  0
   14.8229    8.8094    1.0963 H   0  0  0  0  0
   15.0041    7.7854   -1.8183 H   0  0  0  0  0
   15.7817   10.4406   -0.4849 H   0  0  0  0  0
   16.3805    9.1736   -3.2471 H   0  0  0  0  0
   17.2797   10.4666   -2.4610 H   0  0  0  0  0
   15.2443   11.9632   -2.6597 H   0  0  0  0  0
   14.3865   10.6749   -3.4801 H   0  0  0  0  0
   15.9297   10.6867   -5.3685 H   0  0  0  0  0
   17.0424   11.7707   -4.5573 H   0  0  0  0  0
   14.9327   14.6589   -5.2172 H   0  0  0  0  0
   16.7800   13.6032   -3.1400 H   0  0  0  0  0
   16.2336   15.2557   -3.3556 H   0  0  0  0  0
   17.6909   15.4953   -5.3879 H   0  0  0  0  0
   18.2044   13.8129   -5.2243 H   0  0  0  0  0
   18.6544   15.9451   -3.4019 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 11 44  1  0  0  0
 12 13  2  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 16  2  0  0  0
 15 49  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 18 54  1  0  0  0
 19 20  1  0  0  0
 19 55  1  0  0  0
 19 56  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 23 24  1  0  0  0
 23 58  1  0  0  0
 23 59  1  0  0  0
 24 25  1  0  0  0
 24 60  1  0  0  0
 24 61  1  0  0  0
 25 62  1  0  0  0
M  END

>  <Chemical Name>
Anandamide

>  <PubChem CID>
5281969

>  <Formula>
C22H37NO2

>  <Molecular Weight>
347.543000

>  <IUPAC Name>
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO

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

>  <InChI Std. ID>
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-

>  <InChI Key>
LGEQQWMQCRIYKG-DOFZRALJSA-N

