Mol:FL5FABNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1534    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1534   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1525   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1525    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1516   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1516    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8788    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8788    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521   -1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6536    0.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530   -1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -0.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    0.9131    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  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1 OCH3
M  SBV   1 23   -5.3422    4.0338
S  SKP  8
ID	FL5FABNS0001
KNApSAcK_ID	C00001060
NAME	Kaempferide
CAS_RN	491-54-3
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M  END

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