Mol:FLIFALNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.2828    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7265    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7265    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0576    0.3371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0576    0.9795    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6139    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6880   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6880    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139   -0.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7265   -0.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1203    0.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4987    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1402    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904   -1.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6880   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6880   -0.6708    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28    1.9256    -0.877
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    0.6759   -1.1857
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -2.6401    1.5982
S  SKP  8
ID	FLIFALNS0001
KNApSAcK_ID	C00009567
NAME	Sermundone
CAS_RN	41743-42-4
FORMULA	C19H18O7
EXACTMASS	358.10525293
AVERAGEMASS	358.34202000000005
SMILES	c(c4OC)(OC)cc(c(c4)1)OCC(O2)C(C(c(c(O)3)c2cc(OC)c3)=O)1
M  END

</pre>