Mol:FL5FA8NS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.4462    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1362    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362    1.6360    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
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  1 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  SVB   1 23   -2.1362      0.77
S  SKP  8
ID	FL5FA8NS0002
KNApSAcK_ID	C00004563
NAME	Datin
CAS_RN	55051-98-4
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)c(O)ccc2
M  END

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