Mol:FL7AAAGO0005

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FL7AAAGO0005.png

 
 
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 31 34  0  0  0  0  0  0  0  0999 V2000 
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    0.9923    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.5214   -1.1594    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 
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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 
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 22 23  1  1  0  0  0 
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 26 21  1  0  0  0  0 
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 22 28  1  0  0  0  0 
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 24 19  1  0  0  0  0 
 26 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 CH2OH 
M  SBV   1 33   -6.1996    5.9633 
S  SKP  8 
ID	FL7AAAGS0005 
KNApSAcK_ID	C00006790 
NAME	Pelargonidin 5-galactoside 
CAS_RN	157526-28-8 
FORMULA	C21H21O10 
EXACTMASS	433.113471892 
AVERAGEMASS	433.38544 
SMILES	C(C1Oc(c4)c(c(cc(O)4)3)cc(c([o+1]3)c(c2)ccc(O)c2)O)(O)C(O)C(O)C(O1)CO 
M  END
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