Mol:FL1C1CNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.4107    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4107   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8544   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2981   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2981    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8544    0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7418   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3706   -0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0487   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0487    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877    0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7418   -0.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    0.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9668    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8544   -0.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9147   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807   -1.0042    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
 13 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 12 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    2.2523   -0.2104
S  SKP  8
ID	FL1C1CNS0002
KNApSAcK_ID	C00006942
NAME	Homobutein
CAS_RN	24000-39-0
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c1)c(O)ccc(C=CC(=O)c(c2)c(O)cc(O)c2)1
M  END

</pre>