Mol:FL5FFCGA0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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   -2.5386   -0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4260   -0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4260    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9823    0.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8697   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3134   -0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3134    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8697    0.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2427    0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8097    0.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3767    0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3767    1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8097    1.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2427    1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3347   -1.1498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3802   -0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9925   -1.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7380   -1.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.8757   -0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1302   -0.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6531   -0.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3990   -0.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6500    0.1838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9435    1.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9823   -1.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8097    2.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9823    1.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0947   -2.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2978   -1.7869    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 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
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 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
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 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
  6 32  1  0  0  0  0 
 23 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1 CH2OH 
M  SBV   1 36   -4.3408    4.8379 
S  SKP  8 
ID	FL5FFCGA0001 
KNApSAcK_ID	C00005685 
NAME	Gossypetin 3-galactoside 
CAS_RN	76960-04-8 
FORMULA	C21H20O13 
EXACTMASS	480.090390726 
AVERAGEMASS	480.37569999999994 
SMILES	c(c42)(c(O)c(O)cc4O)OC(=C(OC(C(O)3)OC(CO)C(O)C3O)C2=O)c(c1)cc(c(O)c1)O 
M  END