Mol:FL63AAGS0006

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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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    0.8773    0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3593    0.9187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953    0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3953   -0.2775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984   -0.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9952   -0.6936    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
  4  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  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  1  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
  3 27  1  0  0  0  0
 27 21  1  0  0  0  0
  1 28  1  0  0  0  0
  8 29  1  6  0  0  0
 23 30  1  0  0  0  0
 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  SBV   1 33   -7.2552    7.4119
S  SKP  8
ID	FL63AAGS0006
KNApSAcK_ID	C00008835
NAME	Epiafzelechin 5-O-beta-D-glucopyranoside
CAS_RN	94285-13-9
FORMULA	C21H24O10
EXACTMASS	436.136946988
AVERAGEMASS	436.40926
SMILES	C(C1Oc(c4)c(c(cc(O)4)3)CC(C(O3)c(c2)ccc(O)c2)O)(O)C(O)C(O)C(O1)CO
M  END

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