Mol:FL2FFANS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4254    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8691   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3128   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3128    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8691    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7565    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3559    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3559    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8691   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546    1.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7711    0.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    1.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7711    1.0418    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
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25    2.0566    1.4543
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -2.7711      0.79
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -1.5911    1.0455
S  SKP  8
ID	FL2FFANS0003
KNApSAcK_ID	C00008255
NAME	5-Hydroxy-7,8,4'-trimethoxyflavanone
CAS_RN	75933-07-2
FORMULA	C18H18O6
EXACTMASS	330.110338308
AVERAGEMASS	330.33191999999997
SMILES	c(C(O2)CC(c(c(O)3)c2c(c(OC)c3)OC)=O)(c1)ccc(OC)c1
M  END

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