Mol:FL2FA8NS0010

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FL2FA8NS0010.png

 
 
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 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.4741    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4741   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7596   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0451   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0451    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7596    0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3307   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3838   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3838    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3307    0.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1423    0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8568    0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5712    0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5712    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8568    1.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1423    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3307   -1.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1445    0.5315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7940    0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7596   -1.8198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8568   -0.4991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3154   -0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1381    0.2551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7940    0.6337    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  1  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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 12 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 13 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
S  SKP  8 
ID	FL2FA8NS0010 
KNApSAcK_ID	C00014129 
NAME	(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone 
CAS_RN	652999-52-5 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	O(C(c(c(OC)3)cccc3OC)2)c(c1C(=O)C2)cc(OC)cc1O 
M  END
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