Mol:FL5FAEGLS001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 38 41  0  0  0  0  0  0  0  0999 V2000
   -2.1770   -0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1770   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -1.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644   -0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207    0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081   -1.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0482   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0482   -0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081    0.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081   -1.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043    0.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1713   -0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382    0.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382    0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1713    1.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043    0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6963   -1.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -1.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0995   -1.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495   -1.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2372   -0.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -0.9954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606   -0.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8799   -0.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -1.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0745    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3730    0.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5895    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3730    0.8705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3730   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1713    1.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3600   -1.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0745   -1.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3050    1.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0195    0.7912    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
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 20 18  1  0  0  0  0
 18  8  1  0  0  0  0
 22 21  1  1  0  0  0
  3 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
  1 31  1  0  0  0  0
 16 34  1  0  0  0  0
 22 35  1  0  0  0  0
 35 36  1  0  0  0  0
 15 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  35  36
M  SBL   1  1  38
M  SMT   1 CH2OH
M  SBV   1 38   -4.7767    2.8557
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  37  38
M  SBL   2  1  40
M  SMT   2 OCH3
M  SBV   2 40   -4.7205    3.1567
S  SKP  8
ID	FL5FAEGLS001
KNApSAcK_ID	C00006073
NAME	Tamarixetin 3-glucoside-7-sulfate;Quercetin 4'-methyl ether 3-glucoside-7-sulfate;3-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(sulfooxy)-4H-1-benzopyran-4-one
CAS_RN	156606-91-6
FORMULA	C22H22O15S
EXACTMASS	558.067940724
AVERAGEMASS	558.4670800000001
SMILES	Oc(c1)c(ccc1C(O3)=C(C(=O)c(c4O)c(cc(c4)OS(O)(=O)=O)3)OC(O2)C(O)C(C(C(CO)2)O)O)OC
M  END

</pre>