Mol:FL2FEGNS0002

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FL2FEGNS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
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    1.7775    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7088    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2360    1.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9850    1.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714    1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6096   -0.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5975   -0.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -0.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5096   -0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  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  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  2 18  1  0  0  0  0
  6 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 16  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  28
M  SMT   2  OCH3
M  SVB   2 28    1.8952   -0.1013
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26   -2.6096   -0.6849
S  SKP  8
ID	FL2FEGNS0002
KNApSAcK_ID	C00008490
NAME	Agamanone
CAS_RN	143381-59-3
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c1OC)(O)cc(O2)c(C(=O)CC2c(c4)cc(c(c(OC)4)3)OCO3)c1O
M  END

</pre>

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