Mol:FL3FCAGS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 38 41  0  0  0  0  0  0  0  0999 V2000
    0.3924    0.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3924    0.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946    0.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946    0.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435    0.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456   -0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967    0.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967    0.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    0.9718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173   -0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6476    0.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5670    0.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5670    1.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6476    1.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266    1.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -0.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190   -0.8456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0034   -1.5262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2609   -1.2374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4555   -1.2297    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0651   -0.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8235   -0.9813    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0955   -1.1784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8072   -1.5653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696   -1.7680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8548   -0.4038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3910    0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0304   -0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5460    0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0266   -0.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5460    0.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3910    0.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0352    1.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4647    2.1963    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  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
 25 28  1  0  0  0  0
 19 23  1  0  0  0  0
 22 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 31 36  2  0  0  0  0
  1 37  1  0  0  0  0
 37 38  1  0  0  0  0
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  SVB   2 40    0.0352    1.3302
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  33  34  35
M  SBL   1  1  36
M  SMT   1  COOH
M  SVB   1 36    -3.546    0.0706
S  SKP  8
ID	FL3FCAGS0003
KNApSAcK_ID	C00004200
NAME	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
CAS_RN	130733-29-8
FORMULA	C25H24O13
EXACTMASS	532.121690854
AVERAGEMASS	532.45026
SMILES	O=C(CC(O)=O)OCC([C@H](O)4)O[C@H]([C@H]([C@@H](O)4)O)Oc(c12)cc(cc1OC(c(c3)ccc(c3)O)=CC2=O)OC
M  END

</pre>