Mol:FL4DFCNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2001   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001   -0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6374   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1166   -0.7709    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1166   -0.1695    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6374    0.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6374   -1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382   -0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205    0.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382    1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792   -1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2779   -0.9987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205    0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190    0.6940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9993    1.6017    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
  6 18  1  0  0  0  0
 16 19  1  0  0  0  0
  2 20  1  0  0  0  0
  8 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
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  SVB   2 26    -1.419     0.694
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  SVB   1 24     2.006     1.056
S  SKP  8
ID	FL4DFCNS0002
KNApSAcK_ID	C00008589
NAME	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
CAS_RN	111514-43-3
FORMULA	C17H16O8
EXACTMASS	348.08451748799996
AVERAGEMASS	348.30413999999996
SMILES	COc(c3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c1c(OC)c(O)c2
M  END

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