
 6-Iodonordihydrocapsaicin

 48 48  0  0  0  0  0  0  0  0999 V2000
   -0.1582    7.4004   -2.0467 C   0  0  0  0  0
    1.3368    7.4957   -2.3001 C   0  0  0  0  0
    2.0981    6.3684   -1.6025 C   0  0  0  0  0
    3.5996    6.4902   -1.8534 C   0  0  0  0  0
    4.3860    5.3814   -1.1519 C   0  0  0  0  0
    5.8853    5.5797   -1.3698 C   0  0  0  0  0
    6.7212    4.5440   -0.6168 C   0  0  0  0  0
    8.2177    4.6706   -0.8926 C   0  0  0  0  0
    8.8083    5.9599   -0.3550 C   0  0  0  0  0
    9.2960    6.0378    0.7675 O   0  0  0  0  0
    8.7207    7.0159   -1.2310 N   0  0  0  0  0
    9.2810    8.3206   -0.9490 C   0  0  0  0  0
   10.4843    8.6646   -1.8032 C   0  0  0  0  0
   11.0082    7.7343   -2.7233 C   0  0  0  0  0
   12.1336    8.0077   -3.5099 C   0  0  0  0  0
   12.7525    9.2510   -3.3933 C   0  0  0  0  0
   12.2549   10.1992   -2.4966 C   0  0  0  0  0
   11.1305    9.9095   -1.7088 C   0  0  0  0  0
   10.4808   11.4370   -0.4133 I   0  0  0  0  0
   13.8330    9.5743   -4.1649 O   0  0  0  0  0
   12.4648    6.9888   -4.3615 O   0  0  0  0  0
   13.8439    6.8557   -4.6792 C   0  0  0  0  0
   -0.6810    8.2142   -2.5588 H   0  0  0  0  0
   -0.3795    7.4743   -0.9772 H   0  0  0  0  0
   -0.5590    6.4517   -2.4171 H   0  0  0  0  0
    1.7001    8.4668   -1.9435 H   0  0  0  0  0
    1.5229    7.4574   -3.3798 H   0  0  0  0  0
    1.7400    5.3981   -1.9667 H   0  0  0  0  0
    1.9013    6.4036   -0.5241 H   0  0  0  0  0
    3.9481    7.4675   -1.4963 H   0  0  0  0  0
    3.7981    6.4534   -2.9316 H   0  0  0  0  0
    4.0787    4.4027   -1.5387 H   0  0  0  0  0
    4.1647    5.3932   -0.0780 H   0  0  0  0  0
    6.1498    6.5859   -1.0275 H   0  0  0  0  0
    6.1104    5.5284   -2.4421 H   0  0  0  0  0
    6.4003    3.5380   -0.9131 H   0  0  0  0  0
    6.5360    4.6373    0.4598 H   0  0  0  0  0
    8.4231    4.5944   -1.9671 H   0  0  0  0  0
    8.7545    3.8410   -0.4166 H   0  0  0  0  0
    8.2914    6.8772   -2.1354 H   0  0  0  0  0
    9.5501    8.3797    0.1101 H   0  0  0  0  0
    8.4752    9.0329   -1.1573 H   0  0  0  0  0
   10.5552    6.7519   -2.8369 H   0  0  0  0  0
   12.7369   11.1693   -2.4120 H   0  0  0  0  0
   14.1209   10.4777   -3.9552 H   0  0  0  0  0
   13.9916    5.8455   -5.0741 H   0  0  0  0  0
   14.4792    6.9585   -3.7931 H   0  0  0  0  0
   14.1327    7.5548   -5.4686 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  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 21  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 17 18  2  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
M  END

>  <Chemical Name>
6-Iodonordihydrocapsaicin

>  <PubChem CID>
5149140

>  <Formula>
C17H26INO3

>  <Molecular Weight>
419.303000

>  <IUPAC Name>
N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]nonanamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC

>  <Isomeric SMILES>
CCCCCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC

>  <InChI Std. ID>
InChI=1S/C17H26INO3/c1-3-4-5-6-7-8-9-17(21)19-12-13-10-16(22-2)15(20)11-14(13)18/h10-11,20H,3-9,12H2,1-2H3,(H,19,21)

>  <InChI Key>
AAORACFZMYMFCG-UHFFFAOYSA-N

