Mol:FL4DAAGS0009

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Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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    3.6524    1.1955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
  3  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
 10  4  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  6 18  1  0  0  0  0
  8 19  1  0  0  0  0
 15 20  1  0  0  0  0
  2 21  1  0  0  0  0
 22 23  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
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 23 20  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1 CH2OH
M  SBV   1 34   -6.7510    2.9320
S  SKP  8
ID	FL4DAAGS0009
KNApSAcK_ID	C00008677
NAME	Aromadendrin 4'-glucoside
CAS_RN	87314-52-1
FORMULA	C21H22O11
EXACTMASS	450.116211546
AVERAGEMASS	450.39278
SMILES	c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(C2O)Oc(c1)c(C2=O)c(cc(O)1)O
M  END

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