Mol:FL2FG8NS0001

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4791   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4373   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4373    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6045   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6045    0.1385    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0836    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7099    1.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1935   -0.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1680   -0.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0113    1.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524    2.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -0.3334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2041   -0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8363    0.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362    1.6234    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  2 18  1  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28   -1.8363    0.7573
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    1.1556    0.0087
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    -0.291     0.673
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.1935   -0.2983
S  SKP  8
ID	FL2FG8NS0001
KNApSAcK_ID	C00008489
NAME	5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
CAS_RN	158305-76-1
FORMULA	C19H20O8
EXACTMASS	376.11581761599996
AVERAGEMASS	376.3573
SMILES	c(c(C(O2)CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(OC)cccc1O
M  END

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