Mol:FL1D1AGS0002

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FL1D1AGS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 32  0  0  0  0  0  0  0  0999 V2000
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   -3.8577    1.1457    0.0000 O   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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  31
M  SMT   1  CH2OH
M  SVB   1 31   -2.8719     0.978
S  SKP  8
ID	FL1D1AGS0002
KNApSAcK_ID	C00007989
NAME	Confusoside
CAS_RN	21562-22-1
FORMULA	C21H24O9
EXACTMASS	420.14203236599997
AVERAGEMASS	420.40986
SMILES	Oc(c3)ccc(c3)CCC(=O)c(c2)c(cc(c2)O[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)C1CO)O
M  END

</pre>

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