
 methanandamide

 65 64  0  0  0  0  0  0  0  0999 V2000
   14.0136    3.9920    9.7257 C   0  0  0  0  0
   13.7010    4.1832    8.2518 C   0  0  0  0  0
   12.1938    4.2264    7.9960 C   0  0  0  0  0
   11.8914    4.3192    6.4981 C   0  0  0  0  0
   10.3872    4.4477    6.2354 C   0  0  0  0  0
    9.9677    4.5380    4.7910 C   0  0  0  0  0
   10.7183    4.2622    3.7115 C   0  0  0  0  0
   10.2482    4.4144    2.2921 C   0  0  0  0  0
   10.9563    5.5600    1.6280 C   0  0  0  0  0
   10.3461    6.6682    1.1715 C   0  0  0  0  0
   10.9928    7.8864    0.5612 C   0  0  0  0  0
   12.4764    7.7692    0.3400 C   0  0  0  0  0
   13.3980    8.2940    1.1670 C   0  0  0  0  0
   14.8994    8.1884    1.1006 C   0  0  0  0  0
   15.4611    7.4342   -0.0723 C   0  0  0  0  0
   16.5349    7.8327   -0.7762 C   0  0  0  0  0
   17.1112    7.0475   -1.9233 C   0  0  0  0  0
   17.4032    7.9056   -3.1588 C   0  0  0  0  0
   18.6844    8.7306   -3.0188 C   0  0  0  0  0
   18.9900    9.5357   -4.2699 C   0  0  0  0  0
   18.2187    9.6408   -5.2150 O   0  0  0  0  0
   20.2186   10.1596   -4.2164 N   0  0  0  0  0
   20.7780   10.9699   -5.3035 C   0  0  0  0  0
   20.9755   10.1643   -6.5848 C   0  0  0  0  0
   19.9655   12.2489   -5.5634 C   0  0  0  0  0
   19.9187   13.0429   -4.3766 O   0  0  0  0  0
   15.0945    4.0203    9.8919 H   0  0  0  0  0
   13.6421    3.0253   10.0818 H   0  0  0  0  0
   13.5562    4.7796   10.3317 H   0  0  0  0  0
   14.1549    3.3639    7.6820 H   0  0  0  0  0
   14.1623    5.1146    7.9031 H   0  0  0  0  0
   11.7598    5.0876    8.5179 H   0  0  0  0  0
   11.7211    3.3261    8.4072 H   0  0  0  0  0
   12.2869    3.4236    6.0044 H   0  0  0  0  0
   12.4134    5.1858    6.0726 H   0  0  0  0  0
   10.0248    5.3526    6.7399 H   0  0  0  0  0
    9.8583    3.6017    6.6906 H   0  0  0  0  0
    8.9467    4.8858    4.6372 H   0  0  0  0  0
   11.7400    3.9104    3.8280 H   0  0  0  0  0
    9.1606    4.5482    2.2535 H   0  0  0  0  0
   10.4685    3.4911    1.7437 H   0  0  0  0  0
   12.0376    5.4653    1.5562 H   0  0  0  0  0
    9.2639    6.7405    1.2719 H   0  0  0  0  0
   10.7705    8.7467    1.2049 H   0  0  0  0  0
   10.5148    8.0924   -0.4039 H   0  0  0  0  0
   12.7740    7.2013   -0.5371 H   0  0  0  0  0
   13.0402    8.8418    2.0392 H   0  0  0  0  0
   15.2328    7.6818    2.0146 H   0  0  0  0  0
   15.3106    9.2047    1.1307 H   0  0  0  0  0
   14.9896    6.4848   -0.3170 H   0  0  0  0  0
   17.0398    8.7543   -0.4967 H   0  0  0  0  0
   16.4133    6.2525   -2.2146 H   0  0  0  0  0
   18.0308    6.5530   -1.5885 H   0  0  0  0  0
   16.5507    8.5611   -3.3770 H   0  0  0  0  0
   17.5109    7.2392   -4.0244 H   0  0  0  0  0
   19.5321    8.0624   -2.8256 H   0  0  0  0  0
   18.6029    9.4320   -2.1818 H   0  0  0  0  0
   20.7999   10.0187   -3.3998 H   0  0  0  0  0
   21.7669   11.2693   -4.9335 H   0  0  0  0  0
   20.0218    9.8915   -7.0476 H   0  0  0  0  0
   21.5252    9.2388   -6.3832 H   0  0  0  0  0
   21.5461   10.7437   -7.3186 H   0  0  0  0  0
   18.9384   12.0389   -5.8767 H   0  0  0  0  0
   20.4405   12.8514   -6.3445 H   0  0  0  0  0
   19.4178   12.5147   -3.7300 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
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 15 16  2  0  0  0
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 19 20  1  0  0  0
 19 56  1  0  0  0
 19 57  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
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 23 25  1  0  0  0
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 24 60  1  0  0  0
 24 61  1  0  0  0
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 26 65  1  0  0  0
M  END

>  <Chemical Name>
methanandamide

>  <PubChem CID>
6438332

>  <Formula>
C23H39NO2

>  <Molecular Weight>
361.570000

>  <IUPAC Name>
(5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14-tetraenamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(C)CO

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

>  <InChI Std. ID>
InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-

>  <InChI Key>
SQKRUBZPTNJQEM-ZKWNWVNESA-N

