Mol:FL3FEGNS0002

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FL3FEGNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.8165   -0.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3245   -0.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7208   -0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6093   -0.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1013    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7050    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0057    0.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8941    0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3862    1.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9898    1.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6220   -0.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2747    1.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6595    2.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5458    2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0473    3.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6625    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7762    2.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4199   -0.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2289   -1.0817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9336    3.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1638    3.3475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9305   -1.2779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1180   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3939    3.0719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3336    3.4138    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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    2.0624   -0.0612 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.7769   -0.7269 
S  SKP  8 
ID	FL3FEGNS0002 
KNApSAcK_ID	C00003942 
NAME	5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone 
CAS_RN	79154-47-5 
FORMULA	C17H14O8 
EXACTMASS	346.068867424 
AVERAGEMASS	346.28826 
SMILES	COc(c1)c(O)c(O)cc1C(=C3)Oc(c2)c(C(=O)3)c(O)c(OC)c(O)2 
M  END
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