Mol:FLII1ANI0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.6981    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5855   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5855    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0292   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4729   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832   -1.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2728   -1.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2728   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -1.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0275   -1.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294    0.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0554    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554    1.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949    0.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2416    1.2797    0.0000 C   0  0  0  0  0  0  0  0  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  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  9  2  0  0  0  0
  1  2  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  1  0  0  0  0
 10 16  1  0  0  0  0
  5 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27   -0.1949      0.38
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -3.0554    1.0681
S  SKP  8
ID	FLII1ANI0001
KNApSAcK_ID	C00009809
NAME	Ambofuranol;6-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-prenylbenzofuran
CAS_RN	76869-00-6
FORMULA	C21H22O5
EXACTMASS	354.146723814
AVERAGEMASS	354.39638
SMILES	O(C)c(c23)c(oc(cc(O)c(c3)CC=C(C)C)2)c(c1)c(cc(OC)c1)O
M  END

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