Mol:FL7AECGL0001

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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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    3.0561   -3.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
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  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21  8  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
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 26 30  1  0  0  0  0
 23 21  1  0  0  0  0
  2 31  1  0  0  0  0
 25 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  SVB   1 35    2.5301   -1.7123
S  SKP  8
ID	FL7AECGL0001
KNApSAcK_ID	C00006694
NAME	6-Hydroxycyanidin 3-glucoside
CAS_RN	99124-24-0,478693-93-5
FORMULA	C21H21O12
EXACTMASS	465.103301136
AVERAGEMASS	465.38424
SMILES	C([C@@H]1Oc(c(c(c4)cc(c(O)c4)O)2)cc(c(O)3)c(cc(O)c3O)[o+1]2)(O)C(O)[C@@H](O)[C@H](O1)CO
M  END

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