Mol:FL2F1CGS0002

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FL2F1CGS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
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   -0.3270    1.4557    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
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 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  SVB   1 33    0.5357    2.4344
S  SKP  8
ID	FL2F1CGS0002
KNApSAcK_ID	C00008278
NAME	Isomonospermoside
CAS_RN	30382-20-8
FORMULA	C21H22O10
EXACTMASS	434.121296924
AVERAGEMASS	434.39338
SMILES	c(O)(c4)ccc(c41)C(=O)CC(c(c3)cc(c(O)c3)O[C@@H](O2)C(O)C(O)[C@H](O)[C@@H]2CO)O1
M  END

</pre>

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