Mol:FL3FEAGS0041

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FL3FEAGS0041.png

 
 
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 33 36  0  0  0  0  0  0  0  0999 V2000 
    3.2018    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8363    1.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8363    1.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2018    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5672    1.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5672    1.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3294    2.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9200    0.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2731    1.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6262    0.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6262   -0.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2731   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9200   -0.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0303    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6869    0.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6869   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0303   -0.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2731   -0.9814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.8217   -1.5533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -3.0970   -1.9475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.5253   -1.3526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.7304   -1.1320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.4551   -0.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0268   -1.3326    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.1213   -1.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8183   -2.1033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3294   -2.0610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2206   -0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1769   -0.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3770    0.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7894    1.1601    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 
  3  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13  8  2  0  0  0  0 
 10 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 11  1  0  0  0  0 
 12 18  2  0  0  0  0 
 16 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 19 24  1  0  0  0  0 
 23 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 21 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 15 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  33 
M  SMT   2  CH2OH 
M  SVB   2 33   -3.2206   -0.4928 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35   -1.0441    1.2493 
S  SKP  8 
ID	FL3FEAGS0041 
KNApSAcK_ID	C00010276 
NAME	Scutellarein 7-methyl ether 6-glucoside 
CAS_RN	89647-63-2 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	O[C@@H]([C@H]1O)[C@H](Oc(c4O)c(OC)cc(c24)OC(c(c3)ccc(c3)O)=CC(=O)2)OC(CO)[C@@H]1O 
M  END
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