Mol:FL3FECGS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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    0.7484   -0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2973    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1995   -0.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6505   -0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6505   -0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.1995   -1.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1014    0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.0209    0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.9202    0.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 16 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  3 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
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 26 25  1  1  0  0  0 
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 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   -8.6497    4.6804 
S  SKP  8 
ID	FL3FECGS0011 
KNApSAcK_ID	C00004386 
NAME	6-Hydroxyluteolin 7-glucoside 
CAS_RN	54300-65-1 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	C(C1Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)(O)C(O)C(O)C(O1)CO 
M  END