Mol:FL5FALNS0010

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.2410    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0158   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0265    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4062   -0.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0984    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 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 12  1  0  0  0  0
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27     0.183   -0.6973
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25   -2.5983      0.77
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    1.8838    0.2661
S  SKP  8
ID	FL5FALNS0010
KNApSAcK_ID	C00004751
NAME	Chrysosplenol F
CAS_RN	135463-10-4
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)1)(O)cc(O)c(OC)c1
M  END

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