Mol:FL2F1CCS0001

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FL2F1CCS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
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    2.6226    0.4848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739    1.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0132    1.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987    1.2298    0.0000 O   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  1  0  0  0  0
  9 10  1  0  0  0  0
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  7 11  2  0  0  0  0
  1 12  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  1  0  0  0
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 18 13  1  0  0  0  0
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 14 20  1  0  0  0  0
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  6 16  1  0  0  0  0
  9 22  1  0  0  0  0
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 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 18 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1 CH2OH
M  SBV   1 33   -7.0310    5.6636
S  SKP  8
ID	FL2F1CCS0001
KNApSAcK_ID	C00006113
NAME	Palodulcin B
CAS_RN	-
FORMULA	C21H22O10
EXACTMASS	434.121296924
AVERAGEMASS	434.39338
SMILES	O(c32)C(CC(=O)c2ccc(c3C(C(O)4)OC(CO)C(O)C4O)O)c(c1)cc(c(O)c1)O
M  END

</pre>

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