Mol:FL3FE9GS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
    0.0802    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0802   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8615    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4285    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9955    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9955    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4285    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8615    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817    0.2544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7660   -0.4262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0235   -0.1375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3071   -0.1297    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8277    0.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4773    0.0482    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9955   -0.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5698   -0.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5981   -0.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6343   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0802   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6741    0.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    1.2022    0.0000 O   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 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 18  1  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  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   -2.6741     0.908
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32   -0.6343   -0.3996
S  SKP  8
ID	FL3FE9GS0005
KNApSAcK_ID	C00004123
NAME	Baicalein 6-methyl ether 7-glucoside
CAS_RN	36948-77-3
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1
M  END

</pre>