Mol:FL6DBBNM0001

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FL6DBBNM0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.3202    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4611    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5950    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3689   -0.9550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    1.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1721   -0.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4576   -1.4016    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  9 11  1  6  0  0  0 
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 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
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  7 17  1  1  0  0  0 
 18  1  1  0  0  0  0 
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  2 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
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  SBV   1 24   -8.4318    4.2735 
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  SBV   2 26   -9.4068    3.7694 
S  SKP  8 
ID	FL6DBBNM0001 
KNApSAcK_ID	C00009024 
NAME	3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan 
CAS_RN	74761-25-4 
FORMULA	C19H22O6 
EXACTMASS	346.141638436 
AVERAGEMASS	346.37438 
SMILES	c(C(O2)C(C(c(c3OC)c2c(c(c3C)O)C)O)O)(c1)ccc(OC)c1 
M  END
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