Mol:FL3FF9GS0007

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FL3FF9GS0007.png

 
 
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 31 34  0  0  0  0  0  0  0  0999 V2000 
   -0.3021    0.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3021    0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1490    0.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6001    0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6001    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1490    1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0511    0.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5022    0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5022    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0511    1.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0511   -0.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9531    1.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4128    0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8725    1.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8725    1.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4128    1.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9531    1.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1490   -0.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7633    1.1772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2960   -0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7804   -1.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0379   -1.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3214   -1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8421   -0.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6005   -0.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8725   -1.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5842   -1.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6125   -1.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1490    1.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8961   -0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1816   -0.5610    0.0000 O   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 
  3 18  1  0  0  0  0 
 19  1  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 18  1  0  0  0  0 
  6 29  1  0  0  0  0 
 25 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 ^CH2OH 
M  SBV   1 33   -8.0143    7.6065 
S  SKP  8 
ID	FL3FF9GS0007 
KNApSAcK_ID	C00004484 
NAME	5,7,8-Trihydroxyflavone 5-glucoside 
CAS_RN	151261-87-9 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	C(C1Oc(c42)cc(c(O)c2OC(=CC4=O)c(c3)cccc3)O)(O)C(O)C(O)C(O1)CO 
M  END
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