Mol:FL5FA9NS0004

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FL5FA9NS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.6796    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5670    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017   -0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -1.4198    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
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 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  22
M  SMT   1 OCH3
M  SBV   1 22   -7.6806    7.8762
S  SKP  8
ID	FL5FA9NS0004
KNApSAcK_ID	C00004535
NAME	Galangin 5-methyl ether
CAS_RN	104594-69-6
FORMULA	C16H12O5
EXACTMASS	284.068473494
AVERAGEMASS	284.26348
SMILES	COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)cccc2)=C(O)1
M  END

</pre>

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