Mol:FL5FAAGS0014

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.2021    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2021   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9105   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9105    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0231   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0231    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1462    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7131    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7131    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1462    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7582    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2800    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4551   -0.8838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6877    0.5225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1515   -0.1993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2027    0.0894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4863    0.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0069    0.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8009    0.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.2800   -0.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490   -0.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7773   -0.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1166    1.6553    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
  8 21  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 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 19  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  CH2OH
M  SVB   1 34   -2.5405    0.8379
S  SKP  8
ID	FL5FAAGS0014
KNApSAcK_ID	C00005149
NAME	Populnin
CAS_RN	16290-07-6
FORMULA	C21H20O11
EXACTMASS	448.100561482
AVERAGEMASS	448.3769
SMILES	c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)1)O
M  END

</pre>