Mol:FL5FDAGSS001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
    1.5171   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2315    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2315    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0881   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0881   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0553    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7698   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7698   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0553   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4842    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0553   -2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9460    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171    2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5159   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1975   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555    1.4438    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1975    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555    2.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555    0.8837    0.0000 O   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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 19 23  1  0  0  0  0
 18 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
S  SKP  8
ID	FL5FDAGSS001
KNApSAcK_ID	C00013929
NAME	Quercetin 3,7-dimethyl ether 4'-sulfate;5-Hydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-3,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	221662-09-5
FORMULA	C17H14O10S
EXACTMASS	410.030767358
AVERAGEMASS	410.35306
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(OC)=C1c(c2)cc(O)c(c2)OS(O)(=O)=O
M  END

</pre>