Mol:FL5FEANS0012

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FL5FEANS0012.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.2410    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2410   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7971    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9555   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2410   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2410    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9555    1.0418    0.0000 C   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 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  8 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1 ^OCH3 
M  SBV   1 23   -7.5714    3.7696 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2 OCH3 
M  SBV   2 25   -6.2901    4.0054 
S  SKP  8 
ID	FL5FEANS0012 
KNApSAcK_ID	C00004600 
NAME	Betuletol;6,4'-Dimethoxy-3,5,7-trihydroxyflavone;3,5,7-Trihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	35214-88-1 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(OC)2)1 
M  END
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