Mol:FL5FAAGA0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.8477    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8477   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2914   -0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2914    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788   -0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6225   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6225    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788    0.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788   -1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5006    0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675    1.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5006    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664    1.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2914   -1.3778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256   -0.9647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6834   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -0.9317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665   -0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8210   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439   -0.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856   -0.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230    0.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6343    1.5309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6893   -1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4038   -1.5310    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
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 20  1  0  0  0  0
 20  8  1  0  0  0  0
 15 30  1  0  0  0  0
 24 23  1  1  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1 CH2OH
M  SBV   1 34   -4.7462    5.7198
S  SKP  8
ID	FL5FAAGA0002
KNApSAcK_ID	C00005137
NAME	Trifolin
CAS_RN	23627-87-4
FORMULA	C21H20O11
EXACTMASS	448.100561482
AVERAGEMASS	448.3769
SMILES	O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O
M  END

</pre>