Mol:FL5FAHGL0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 46 50  0  0  0  0  0  0  0  0999 V2000
   -3.3587    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3587   -0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8024   -0.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461   -0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8024    0.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898   -0.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1335   -0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1335    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898    0.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898   -1.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5774    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5565    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5565    1.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105    1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5774    1.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9148    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4225    1.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7394   -0.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8024   -1.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    0.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2861    0.3775    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7650    0.0767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3487   -0.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700   -0.5036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2911   -0.2028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7074   -0.0567    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7274    0.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9807    0.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   -0.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3886   -0.6744    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1325   -0.9752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4512   -1.1213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8725   -1.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3936   -1.2547    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8099   -1.1085    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1701   -0.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832   -0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8871   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9090   -2.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9090   -2.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0043   -0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3529   -1.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2729    2.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143    3.0715    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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
  8 20  1  0  0  0  0
  3 21  1  0  0  0  0
 14 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 24 22  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 32 38  1  0  0  0  0
 37 39  1  0  0  0  0
 36 40  1  0  0  0  0
 33 20  1  0  0  0  0
 35 41  1  0  0  0  0
 41 42  1  0  0  0  0
 26 43  1  0  0  0  0
 43 44  1  0  0  0  0
 16 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  47
M  SMT   3  CH2OH
M  SVB   3 47    3.2004   -0.7098
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  45
M  SMT   2  CH2OH
M  SVB   2 45    1.3029   -1.7617
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  45  46
M  SBL   1  1  49
M  SMT   1  OCH3
M  SVB   1 49    0.2729    2.1742
S  SKP  8
ID	FL5FAHGL0003
KNApSAcK_ID	C00005766
NAME	Laricitrin 3,5'-diglucoside
CAS_RN	89345-43-7
FORMULA	C28H32O18
EXACTMASS	656.1588642199999
AVERAGEMASS	656.54288
SMILES	O([C@H]1Oc(c2O)cc(C(=C(O[C@@H](C(O)5)O[C@@H]([C@H](O)C(O)5)CO)4)Oc(c3)c(C(=O)4)c(O)cc3O)cc(OC)2)[C@@H]([C@H](O)C(C1O)O)CO
M  END

</pre>