Mol:FL5FDCGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.6834    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6834   -0.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -0.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271    0.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855   -0.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5418   -0.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5418    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855    0.7456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855   -1.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0979    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6649    0.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2319    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2319    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6649    1.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0979    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395    0.7455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -1.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7162    1.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6649    2.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1171   -1.3493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6428   -2.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6646   -1.7693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9103   -1.9474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4966   -1.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540   -1.6174    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7162   -1.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7927   -2.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996   -2.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6349   -0.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078   -0.7179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2739   -1.2178    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 19  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
  8 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  CH2OH
M  SVB   2 34   -2.0749   -1.0438
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  36
M  SMT   1  OCH3
M  SVB   1 36    1.7407   -0.4242
S  SKP  8
ID	FL5FDCGS0001
KNApSAcK_ID	C00005489
NAME	Quercetin 3-methyl ether 5-glucoside;2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-methoxy-4H-1-benzopyran-4-one
CAS_RN	53987-23-8
FORMULA	C22H22O12
EXACTMASS	478.111126168
AVERAGEMASS	478.40288000000004
SMILES	[C@@H](Oc(c24)cc(cc(OC(=C(OC)C(=O)4)c(c3)ccc(c3O)O)2)O)([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M  END

</pre>