Mol:FL2FA9NN0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 33  0  0  0  0  0  0  0  0999 V2000 
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   -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 
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   -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 
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   -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 
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  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
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  7 17  2  0  0  0  0 
  4 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
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 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