Mol:FL3FACGS0030

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
   -0.0217   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0217   -1.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4293   -1.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8804   -1.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8804   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4293   -0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315   -1.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825   -1.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315   -0.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5032   -2.1086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1529   -0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1529   -0.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -0.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412   -0.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4293   -2.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472    0.1749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1707   -1.3498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6551   -2.0304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9126   -1.7417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1961   -1.7339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7167   -1.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4752   -1.4855    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7472   -1.6826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4589   -2.0695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4871   -2.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640    2.2835    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8474    1.4377    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5766    1.1168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0886    0.6157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0887    1.3520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3598    1.6958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3210    2.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2513    1.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724    0.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842   -0.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4967   -0.1642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9936    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652    3.0009    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
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  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 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 18  1  0  0  0  0
 16 30  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 30  1  0  0  0  0
 26 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  46
M  SMT   2  CH2OH
M  SVB   2 46    1.9936    2.0035
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  44
M  SMT   1  CH2OH
M  SVB   1 44   -2.7707   -0.6781
S  SKP  8
ID	FL3FACGS0030
KNApSAcK_ID	C00004290
NAME	Luteolin 7,3'-diglucoside
CAS_RN	52187-80-1
FORMULA	C27H30O16
EXACTMASS	610.153384912
AVERAGEMASS	610.5175
SMILES	[C@@H]([C@H](O)1)(O)[C@H](C(CO)O[C@H]1Oc(c2)cc(c(C(=O)3)c2OC(c(c4)cc(O[C@H](O5)[C@H]([C@H]([C@@H](O)C(CO)5)O)O)c(c4)O)=C3)O)O
M  END

</pre>