Mol:FL7AADGL0011

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 39  0  0  0  0  0  0  0  0999 V2000
   -3.2200    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2200    0.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6636   -0.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1073    0.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1073    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6636    1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510   -0.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947    0.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510    1.2280    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4386    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1283    0.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    1.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1283    2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4386    1.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7760    1.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5613    2.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6636   -0.6988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786   -0.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242   -0.4800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6560   -0.9446    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1718   -0.7971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6907   -0.9446    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9590   -0.4800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4432   -0.6273    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5596   -0.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5848   -0.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -0.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -1.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5905   -2.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480   -2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585   -3.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0683   -3.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117    2.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530    3.6834    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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  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
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 15 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  35  36
M  SBL   1  1  38
M  SMT   1  OCH3
M  SVB   1 38    0.4117    2.7861
S  SKP  8
ID	FL7AADGL0011
KNApSAcK_ID	C00006859
NAME	Peonidin 3-(6''-acetylglucoside)
CAS_RN	129016-22-4,122796-43-4,114017-67-3
FORMULA	C24H25O12
EXACTMASS	505.134601264
AVERAGEMASS	505.4481
SMILES	OC([C@H]4O)C([C@@H](O[C@@H]4COC(C)=O)Oc(c2)c(c(c3)cc(c(c3)O)OC)[o+1]c(c21)cc(cc1O)O)O
M  END

</pre>