Mol:FL5FAAGL0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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   -0.8504    0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2622    1.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.2941   -0.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.3214   -1.3980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    1.9496   -1.7607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.7502   -1.0632    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.9496   -0.3615    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.3214    0.0013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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    2.2122   -1.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2855   -2.7026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5098   -0.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1991   -1.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2153   -1.9192    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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  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 22 21  1  1  0  0  0 
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 23 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
  8 27  1  0  0  0  0 
 24 30  1  0  0  0  0 
 21 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  CH2OH 
M  SVB   1 34    1.1991     -1.74 
S  SKP  8 
ID	FL5FAAGL0002 
KNApSAcK_ID	C00005139 
NAME	Kaempferol 3-alpha-D-glucoside 
CAS_RN	31159-41-8 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)[C@@H](C(O)1)O[C@H](CO)[C@H](O)C1O 
M  END