Mol:FL2FA9GS0002

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FL2FA9GS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
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    0.5183    1.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.0624   -0.4712    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  1  0  0  0  0 
  8  9  1  0  0  0  0 
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  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
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 23 19  1  0  0  0  0 
 25 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  CH2OH 
M  SVB   1 32   -2.0947   -0.7233 
S  SKP  8 
ID	FL2FA9GS0002 
KNApSAcK_ID	C00008137 
NAME	Pinocembrin 5-O-glucoside 
CAS_RN	522-55-6 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	[C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(C3)c(c2)cccc2)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END
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