Mol:FL3FECGS0053

<pre>

Copyright: ARM project http://www.metabolome.jp/
 48 52  0  0  0  0  0  0  0  0999 V2000
    3.8695    1.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8695    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2984    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2984    1.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    1.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1550    0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    0.7480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261    0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405   -0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1550   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2971    0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2971   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116   -0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405   -1.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4173    0.7480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116   -1.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040    1.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9629    0.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560   -0.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6773    0.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231   -1.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893    1.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3957    0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8895    0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275    0.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3107    0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8168    0.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5790    0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7994    1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2249    1.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7733    0.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2847    0.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6904   -0.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2997    0.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7935   -0.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0315   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2147   -0.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.4350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4830    0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7034    0.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1289    0.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6773   -0.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1887   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5944   -0.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 16 19  1  0  0  0  0
  5 20  1  0  0  0  0
  4 21  1  0  0  0  0
 15 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  1  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 35  1  0  0  0  0
 28 36  1  0  0  0  0
 29 37  1  0  0  0  0
 38 39  1  1  0  0  0
 39 40  1  1  0  0  0
 41 40  1  1  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 38  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 38 46  1  0  0  0  0
 39 47  1  0  0  0  0
 40 48  1  0  0  0  0
 41 35  1  0  0  0  0
 30 18  1  0  0  0  0
S  SKP  8
ID	FL3FECGS0053
KNApSAcK_ID	C00013698
NAME	6-Hydroxyluteolin 5,6,3',4'-tetramethyl eter 7-cellobioside;2-(3,4-Dimethoxyphenyl)-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	222025-50-5
FORMULA	C31H38O17
EXACTMASS	682.21089979
AVERAGEMASS	682.62322
SMILES	C(C2Oc(c5)c(c(OC)c(c54)C(=O)C=C(O4)c(c3)cc(OC)c(OC)c3)OC)(C(O)C(C(O2)CO)OC(O1)C(O)C(O)C(C(CO)1)O)O
M  END

</pre>