Mol:FL7AACGO0004

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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  3  2  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
 22 23  1  0  0  0  0
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 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   -7.2736    4.8943
S  SKP  8
ID	FL7AACGS0004
KNApSAcK_ID	C00006654
NAME	Cyanidin 4'-glucoside
CAS_RN	802884-14-6
FORMULA	C21H21O11
EXACTMASS	449.108386514
AVERAGEMASS	449.38484
SMILES	c(c(O)4)c(c(c(c4)1)cc(c(c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)[o+1]1)O)O
M  END

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