Mol:FLNA2ANS0001

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FLNA2ANS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9985    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0033    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028    1.5454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4987    0.3898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028   -0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0202   -0.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0202   -1.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028   -1.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854   -1.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854   -0.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987    1.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028   -1.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649    1.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8842    2.7139    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  2  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
  2 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 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
  9 18  2  0  0  0  0
 15 19  1  0  0  0  0
  1 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  SVB   1 22   -1.3649    1.8593
S  SKP  8
ID	FLNA2ANS0001
KNApSAcK_ID	C00002548
NAME	Melannin;Melanettin
CAS_RN	58115-08-5
FORMULA	C16H12O5
EXACTMASS	284.068473494
AVERAGEMASS	284.26348
SMILES	COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)ccc(O)c1
M  END

</pre>

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