Mol:FL7AAGGL0067

<pre>

Copyright: ARM project http://www.metabolome.jp/
 47 51  0  0  0  0  0  0  0  0999 V2000
   -1.6165    0.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6165   -0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021   -0.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876   -0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876    0.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021    1.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269   -0.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413   -0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    0.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269    1.0747    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.0179    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323    0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4468    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4468    1.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323    2.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0179    1.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870    2.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998   -0.6585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965    0.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021   -1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323    3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1118    0.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6286   -1.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2160   -1.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176   -1.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -1.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -1.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8351   -1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9921   -0.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1118   -1.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6646   -1.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5891   -2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5884   -0.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4902   -2.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797   -2.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200   -1.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4546   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6651   -1.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246   -2.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7099   -1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8693   -2.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0318   -2.5232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640   -1.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6086    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0871    0.4984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1301    0.5479    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
 14 17  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 13 22  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
 33 29  1  0  0  0  0
 26 20  1  0  0  0  0
 34 35  1  1  0  0  0
 35 36  1  1  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 39 40  1  0  0  0  0
 34 41  1  0  0  0  0
 35 42  1  0  0  0  0
 36 43  1  0  0  0  0
 37 18  1  0  0  0  0
 44 40  1  0  0  0  0
 33 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
S  SKP  8
ID	FL7AAGGL0067
KNApSAcK_ID	C00014818
NAME	Delphinidin 3-glucoside-5-(6-acetylglucoside)
CAS_RN	202661-55-0
FORMULA	C29H33O18
EXACTMASS	669.166689252
AVERAGEMASS	669.56152
SMILES	C(C5O)(C(O)C(OC5CO)Oc(c3c(c4)cc(c(O)c4O)O)cc(c1[o+1]3)c(OC(O2)C(O)C(O)C(C2COC(C)=O)O)cc(c1)O)O
M  END

</pre>