Mol:FL7DAAGO0001

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FL7DAAGO0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.0465    0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0661    0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6224   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1787    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1787    0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224    1.2067    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.7348    1.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3018    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7348    1.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8591   -1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434   -1.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009   -1.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8845   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4051   -0.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1636   -1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4356   -1.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472   -1.8023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1755   -2.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4591   -0.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446   -0.8234    0.0000 O   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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 19  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1 ^CH2OH
M  SBV   1 32   -5.4011    5.5910
S  SKP  8
ID	FL7DAAGS0001
KNApSAcK_ID	C00006620
NAME	Gesnerin
CAS_RN	19045-96-6
FORMULA	C21H21O9
EXACTMASS	417.11855727
AVERAGEMASS	417.38604
SMILES	C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO
M  END

</pre>

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