Mol:FL3FCAGS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.4863   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4863   -0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -1.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5842   -0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5842   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1331   -1.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821   -0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1331   -0.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614   -1.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2312   -0.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7714   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117   -0.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117    0.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7714    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2312    0.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1479    0.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1058   -1.5505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091    1.2381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1215    0.5667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8669    0.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6169    0.5667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0046    1.2381    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2591    1.0251    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7892    1.0452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661    1.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5640    0.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1291    0.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436    0.1809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8436    0.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3436    1.1156    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
 15 18  1  0  0  0  0
 19  3  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 21 18  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 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  29  30
M  SBL   2  1  32
M  SMT   2  CH2OH
M  SVB   2 32    3.1291    0.5934
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   -3.8436    0.2496
S  SKP  8
ID	FL3FCAGS0002
KNApSAcK_ID	C00004199
NAME	Apigenin 7-methyl ether 4'-glucoside
CAS_RN	20486-36-6
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	[C@@H](C(O)4)(O[C@H](CO)[C@H](O)C4O)Oc(c1)ccc(C(O3)=CC(c(c23)c(cc(c2)OC)O)=O)c1
M  END

</pre>