Mol:FL2FCANS0001

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FL2FCANS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.8433    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8433   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3429   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8424   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8424    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3429    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3420   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1585   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1585    0.1323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.3420    0.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6586    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1730    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6873    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6873    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1730    1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6586    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1585    0.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3429   -1.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1849   -1.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2005    1.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2005    0.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7004    1.6172    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  0  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 
  9 17  1  1  0  0  0 
  3 18  1  0  0  0  0 
  7 19  2  0  0  0  0 
 14 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  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  SVB   1 23   -2.2005    0.7511 
S  SKP  8 
ID	FL2FCANS0001 
KNApSAcK_ID	C00000999 
NAME	Sakuranetin 
CAS_RN	2957-21-3 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C[C@]([H])1c(c2)ccc(O)c2 
M  END
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