Mol:FL2FA9NN0002

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.4596    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7453    1.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4596    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0302    0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0306    1.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6845   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988    0.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3983    1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836    1.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0272    1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7419    0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557    2.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7410    2.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0267    2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849   -0.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439   -1.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743    1.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8885    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8885    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4561    1.3277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743   -0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8888   -1.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8888   -2.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743   -2.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598   -2.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598   -1.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  3  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
S  SKP  8
ID	FL2FA9NN0002
KNApSAcK_ID	C00014284
NAME	Calomelanol J;3,4,7,8-Tetrahydro-5-hydroxy-4,8-diphenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
CAS_RN	143291-31-0
FORMULA	C24H18O5
EXACTMASS	386.115423686
AVERAGEMASS	386.39672
SMILES	c(c34)c(c(c(O)c3C(=O)CC(c(c5)cccc5)O4)1)OC(=O)CC1c(c2)cccc2
M  END

</pre>