Mol:FL2FGANS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.8838    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2149    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295    0.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7055    1.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983   -0.3321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5744   -0.1149    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
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 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   -2.5983   -0.3321
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   -2.2295      0.79
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   -1.0494    1.0455
S  SKP  8
ID	FL2FGANS0002
KNApSAcK_ID	C00008257
NAME	5,4'-Dihydroxy-6,7,8-trimethoxyflavanone
CAS_RN	75933-09-4
FORMULA	C18H18O7
EXACTMASS	346.10525293
AVERAGEMASS	346.33132
SMILES	c(C(O2)CC(c(c3O)c2c(c(c3OC)OC)OC)=O)(c1)ccc(O)c1
M  END

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