Mol:FL2FEGNS0003

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FL2FEGNS0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.4891   -0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4891   -1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7746   -1.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0601   -1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0601   -0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7746    0.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3457   -1.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3688   -1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3688   -0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3457    0.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1273    0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8418   -0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5563    0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5563    0.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8418    1.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1273    0.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3457   -2.3301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7746   -2.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1502    0.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1858    1.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7054    0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1863   -0.2924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1571   -1.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7054   -1.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8418    1.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4260    2.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  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 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 15 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
S  SKP  8 
ID	FL2FEGNS0003 
KNApSAcK_ID	C00014139 
NAME	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone 
CAS_RN	310888-07-4 
FORMULA	C18H18O8 
EXACTMASS	362.100167552 
AVERAGEMASS	362.33072 
SMILES	c(c1OC)(O)cc(O2)c(C(=O)CC2c(c3)cc(c(OC)c(O)3)OC)c1O 
M  END
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