Mol:FL1AAGGS0001

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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  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  2  0  0  0  0
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 15 18  1  0  0  0  0
  7 19  2  0  0  0  0
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  6 21  1  0  0  0  0
 14 22  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
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 28 23  1  0  0  0  0
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 26 21  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1 ^CH2OH
M  SBV   1 35   -7.5529    6.7739
S  SKP  8
ID	FL1AAGGS0001
KNApSAcK_ID	C00008059
NAME	Bractein
CAS_RN	22684-08-8
FORMULA	C21H20O12
EXACTMASS	464.095476104
AVERAGEMASS	464.37629999999996
SMILES	C(C1Oc(c42)cc(O)cc2oc(c4=O)=Cc(c3)cc(O)c(O)c3O)(O)C(O)C(O)C(O1)CO
M  END

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