Mol:FL1AUNGS0001

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Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
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  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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  6  0  0  0
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 12 13  2  0  0  0  0
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 16 17  2  0  0  0  0
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 21 22  1  0  0  0  0
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 28 29  1  0  0  0  0
  7 19  1  1  0  0  0
 21 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  29
M  SMT   2  CH2OH
M  SVB   2 29   -0.6049   -2.0058
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33    0.6069   -1.5197
S  SKP  8
ID	FL1AUNGS0001
KNApSAcK_ID	C00008062
NAME	Neoraufuracin
CAS_RN	82358-46-1
FORMULA	C22H26O9
EXACTMASS	434.15768243
AVERAGEMASS	434.43644
SMILES	c(c4)c(ccc4O)C[C@@H](O3)[C@H](c(c32)ccc(O)c2)OC([C@@H](OC)1)C([C@@H]([C@@H](O1)CO)O)O
M  END

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