Mol:FL5F1AGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -3.6652   -0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1089   -1.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5526   -0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4400   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2500    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -4.1761   -0.0397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7962    0.9890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8416    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4540    0.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1995    1.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9494    0.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3372    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5917    1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1217    1.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8986    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8965    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4616    0.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1761    0.4231    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 
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  1 19  1  0  0  0  0 
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 24 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   -5.0670    3.2602 
S  SKP  8 
ID	FL5F1AGS0002 
KNApSAcK_ID	C00005129 
NAME	Resokaempferol 4'-glucoside 
CAS_RN	24502-04-3 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(=C2O)Oc(c1)c(C2=O)ccc(O)1 
M  END