Mol:FL1CCANS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.3315    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3315   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0059   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0059    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -0.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752   -1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628    0.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887    1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1887    1.9782    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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
 13 18  1  0  0  0  0
  5 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.6887    1.1122
S  SKP  8
ID	FL1CCANS0001
KNApSAcK_ID	C00006953
NAME	Neosakuranetin
CAS_RN	81719-04-2
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c1)cc(O)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)1
M  END

</pre>