Mol:FL5FADNSS004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.5369   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5369   -0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9806   -1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243   -0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9806    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680   -1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117   -0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680   -1.6605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444    0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114   -0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784    0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784    0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444    0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9800   -1.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731    0.0926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -1.3545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953   -2.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474   -1.7587    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8484   -1.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0630   -2.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444    1.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0264    1.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    1.2986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2376    1.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6743    0.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1044    1.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    2.5817    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
 18  3  1  0  0  0  0
  1 19  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 21 22  1  0  0  0  0
 20 22  1  0  0  0  0
  8 20  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 26 27  1  0  0  0  0
 25 27  1  0  0  0  0
 15 25  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    1.1044    1.6886
S  SKP  8
ID	FL5FADNSS004
KNApSAcK_ID	C00004971
NAME	Isorhamnetin 3,4'-di-O-sulfate
CAS_RN	110209-95-5
FORMULA	C16H12O13S2
EXACTMASS	475.97193185000003
AVERAGEMASS	476.39068000000003
SMILES	COc(c1)c(ccc1C(O2)=C(OS(O)(=O)=O)C(=O)c(c(O)3)c(cc(O)c3)2)OS(O)(=O)=O
M  END

</pre>