Mol:FL3FGCGS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 39  0  0  0  0  0  0  0  0999 V2000
   -0.2918    0.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6194    1.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4846    1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0184    1.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3867    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8529    1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7181    2.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151    2.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1532    2.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    1.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0803    3.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557    3.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183    3.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945    4.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699    3.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325    3.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1215    0.8889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6977    0.4405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    4.7193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1816    3.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1881    0.0816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6725   -0.5990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9300   -0.3103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2136   -0.3026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7342    0.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4926   -0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7646   -0.2512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4763   -0.6382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046   -1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5528   -0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678   -0.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130    0.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9433    1.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8601    1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349    2.3113    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  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
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
  6 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  33  34
M  SBL   3  1  36
M  SMT   3  CH2OH
M  SVB   3 36   -2.6744    0.3443
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  35  36
M  SBL   2  1  38
M  SMT   2  OCH3
M  SVB   2 38    0.7224    0.6303
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  OCH3
M  SVB   1 34   -0.6936   -0.5761
S  SKP  8
ID	FL3FGCGS0002
KNApSAcK_ID	C00004438
NAME	5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone 7-glucoside
CAS_RN	76746-57-1
FORMULA	C23H24O13
EXACTMASS	508.121690854
AVERAGEMASS	508.42886
SMILES	O([C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)c(c(OC)1)c(c(O2)c(C(=O)C=C2c(c3)ccc(c3O)O)c(O)1)OC
M  END

</pre>