Mol:FL2FFCNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4197   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.1760    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7507    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2768    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897    0.3772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2442    0.7028    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
 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
  7 17  2  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  0  0  0  0
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   -1.1897    0.3772
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    2.0624     1.127
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   -2.7769    0.4428
S  SKP  8
ID	FL2FFCNS0002
KNApSAcK_ID	C00008308
NAME	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
CAS_RN	90850-98-9
FORMULA	C18H18O7
EXACTMASS	346.10525293
AVERAGEMASS	346.33132
SMILES	O(C(c(c3)cc(O)c(OC)c3)1)c(c2OC)c(c(O)cc2OC)C(=O)C1
M  END

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