Mol:FL5FEGNS0013

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.4797   -1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9338   -1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5543   -1.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6459   -2.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3411   -2.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5073   -2.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0531   -3.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -3.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952   -1.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2193   -4.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8517   -4.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0211   -4.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5581   -5.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9258   -5.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7563   -4.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0084   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652   -5.9779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2961   -1.0232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7895   -1.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1765   -2.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4732   -3.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4391   -3.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9870   -5.0666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9529   -5.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7189   -5.7091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3965   -6.6557    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
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  30
M  SMT   5  OCH3
M  SVB   5 30    1.5693    1.7424
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28    2.0624    -0.022
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    0.3617   -0.9854
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -2.4197     0.482
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.7769   -0.6877
S  SKP  8
ID	FL5FEGNS0013
KNApSAcK_ID	C00004833
NAME	Murrayanol
CAS_RN	76444-62-7
FORMULA	C20H20O9
EXACTMASS	404.11073223799997
AVERAGEMASS	404.3674
SMILES	c(c3OC)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c2OC)OC)=O
M  END

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