Mol:FL2FACGS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -0.1310    0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4253   -0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9816   -0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9816    0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5377    0.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1047    0.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6717    0.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1047    1.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5377    1.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.3110   -1.4349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0584   -1.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6285   -2.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0549   -0.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3404   -1.3633    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 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 19  1  1  0  0  0  0 
 15 20  1  0  0  0  0 
 21 14  1  0  0  0  0 
  9 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 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 18 26  1  0  0  0  0 
 23 29  1  0  0  0  0 
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 25 31  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  SBV   1 35   -7.6631    6.1172 
S  SKP  8 
ID	FL2FACGS0009 
KNApSAcK_ID	C00008353 
NAME	2,5,7,3',4'-Pentahydroxyflavanone 5-O-glucoside 
CAS_RN	57943-73-4 
FORMULA	C21H22O12 
EXACTMASS	466.111126168 
AVERAGEMASS	466.39218 
SMILES	C(C1Oc(c42)cc(O)cc2OC(CC4=O)(c(c3)cc(c(O)c3)O)O)(O)C(O)C(O)C(O1)CO 
M  END