Mol:FL2FELNS0001

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Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.1172   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080   -0.1713    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4483    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6641    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2311   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2311    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6641    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -1.6786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8317   -0.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8236   -0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2289    1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6640   -0.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5300   -0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745    0.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9746    1.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609   -2.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068    1.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1932    2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180    0.4819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5486    0.1159    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
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 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     2.618    0.4819
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    0.3068    1.4232
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   -1.9973   -1.2954
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   -2.4745    0.4474
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    2.0348   -0.0165
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    1.5145    1.7079
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   -2.8317   -0.7222
S  SKP  8
ID	FL2FELNS0001
KNApSAcK_ID	C00008348
NAME	5,6,7,2',3',4',5'-Heptamethoxyflavanone
CAS_RN	105801-22-7
FORMULA	C22H26O9
EXACTMASS	434.15768243
AVERAGEMASS	434.43644
SMILES	O(C)c(c3OC)cc(c(c(OC)3)1)OC(c(c2)c(OC)c(OC)c(OC)c(OC)2)CC(=O)1
M  END

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