Mol:FL2FGGNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
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    1.0352    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    1.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3017    1.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5823   -2.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5823   -3.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7281    2.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  6 24  1  0  0  0  0
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  5 26  1  0  0  0  0
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  1 28  1  0  0  0  0
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 14 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  30  31
M  SBL   7  1  32
M  SMT   7  OCH3
M  SVB   7 32    1.7458   -0.0867
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  28  29
M  SBL   6  1  30
M  SMT   6  OCH3
M  SVB   6 30   -2.8175   -0.6702
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28    -1.322    0.6826
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26   -2.4603    0.4379
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24     1.302    1.6116
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -2.0956   -1.1991
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20     2.103    1.0446
S  SKP  8
ID	FL2FGGNS0002
KNApSAcK_ID	C00008417
NAME	5,6,7,8,3',4',5'-Heptamethoxyflavanone
CAS_RN	119153-16-1
FORMULA	C22H26O9
EXACTMASS	434.15768243
AVERAGEMASS	434.43644
SMILES	C(=O)(C1)c(c(OC)3)c(c(OC)c(OC)c(OC)3)OC(c(c2)cc(c(c(OC)2)OC)OC)1
M  END

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