Mol:FL4DCCNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
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   -0.8827   -0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1591   -0.7709    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1591   -0.1695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3618    0.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3618   -1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7482    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5905   -1.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2138    1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2817    1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2817    0.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817    1.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  6  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  8 18  1  1  0  0  0
  2 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -2.2817    0.4493
S  SKP  8
ID	FL4DCCNS0001
KNApSAcK_ID	C00008577
NAME	Padmatin
CAS_RN	80453-44-7
FORMULA	C16H14O7
EXACTMASS	318.073952802
AVERAGEMASS	318.27816
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)cc(O)c(O)c2
M  END

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