Mol:FL5FA9GS0002

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FL5FA9GS0002.png

 
 
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 31 34  0  0  0  0  0  0  0  0999 V2000 
    0.1008    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1008   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6571   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.2134    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.3260    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7697    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7697   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.4491    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.6571   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -4.0161    0.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.6187   -0.6454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8885    0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4719    1.2341    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
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 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 18  8  1  0  0  0  0 
  1 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
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 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 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   -6.5762    5.1676 
S  SKP  8 
ID	FL5FA9GS0002 
KNApSAcK_ID	C00005122 
NAME	Galangin 7-glucoside 
CAS_RN	68592-13-2 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	C(O1)(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cccc2)C(O)C(O)C(O)C1CO 
M  END
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