Mol:FL7AAGGO0004

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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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  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 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 15 21  1  0  0  0  0
 13 22  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
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 28 23  1  0  0  0  0
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 26 17  1  0  0  0  0
 28 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   -2.8609    0.7221
S  SKP  8
ID	FL7AAGGS0004
KNApSAcK_ID	C00006701
NAME	Delphinidin 7-glucoside
CAS_RN	27413-99-6
FORMULA	C21H21O12
EXACTMASS	465.103301136
AVERAGEMASS	465.38424
SMILES	[C@@H](O1)(Oc(c4)cc(c2c4O)[o+1]c(c(c3)cc(O)c(O)c(O)3)c(O)c2)[C@@H](O)[C@@H](O)[C@@H](O)C1CO
M  END

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