Mol:FL2FADNI0001

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FL2FADNI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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    1.8549    1.2347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154    0.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5286   -0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418    0.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5286   -0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312    1.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473    2.5016    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
  4  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  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
  9 17  1  1  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  7 20  2  0  0  0  0
 14 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1  OCH3
M  SVB   1 29    0.7312    1.5923
S  SKP  8
ID	FL2FADNI0001
KNApSAcK_ID	C00000996
NAME	5'-Prenylhomoeriodictyol;Abyssinin II;Abyssinoflavanone II
CAS_RN	671781-82-1
FORMULA	C21H22O6
EXACTMASS	370.141638436
AVERAGEMASS	370.39578
SMILES	C(=O)(c23)C[C@](Oc(cc(cc(O)3)O)2)(c(c1)cc(c(O)c(OC)1)CC=C(C)C)[H]
M  END

</pre>

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