Mol:FL2FF8NS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6577   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6159   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6159    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258    0.1385    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0950    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9462    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9462    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368    1.0402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4127    1.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0149    0.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5148    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
  5 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6 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   -2.0149    0.7573
S  SKP  8
ID	FL2FF8NS0005
KNApSAcK_ID	C00008446
NAME	5,8,2'-Trihydroxy-7-methoxyflavanone
CAS_RN	115713-22-9
FORMULA	C16H14O6
EXACTMASS	302.07903818
AVERAGEMASS	302.27876000000003
SMILES	COc(c3)c(O)c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)ccc2
M  END

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