Mol:FL7AACGA0001

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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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   -2.8691   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7565   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7565   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6439   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6439   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2002    0.1452    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0878    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5055   -0.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7108   -1.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4252   -1.7277    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
 10  5  1  0  0  0  0
  9 11  1  0  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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 20  1  0  0  0  0
 15 30  1  0  0  0  0
 24 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   -6.4509    4.9523
S  SKP  8
ID	FL7AACGA0001
KNApSAcK_ID	C00006652
NAME	Idaein;Cyanidin 3-galactoside;Cyanidin 3-O-galactoside
CAS_RN	27661-36-5
FORMULA	C21H21O11
EXACTMASS	449.108386514
AVERAGEMASS	449.38484
SMILES	C(C1Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO
M  END

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