Mol:FL1CELNS0001

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Copyright: ARM project http://www.metabolome.jp/
 31 32  0  0  0  0  0  0  0  0999 V2000
   -2.6887    0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887   -0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324   -0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761   -0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324    0.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0198   -0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4635   -0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6487   -0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7707   -0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7707    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6487    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0198   -1.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324   -1.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0460    0.9697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5461    1.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7101    0.8510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6367    0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5027    1.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6367   -0.7914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5027   -1.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756   -0.7772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8544    1.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4179    2.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901    1.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288    2.1533    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5 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
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 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  31
M  SMT   7  OCH3
M  SVB   7 31    1.4901    1.2547
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  28  29
M  SBL   6  1  29
M  SMT   6  OCH3
M  SVB   6 29   -1.8544    1.2452
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  27
M  SMT   5  OCH3
M  SVB   5 27    0.7756   -0.7772
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  25
M  SMT   4  OCH3
M  SVB   4 25    1.9743   -0.4976
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  23
M  SMT   3  OCH3
M  SVB   3 23    2.3315    0.6802
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  21
M  SMT   2  OCH3
M  SVB   2 21     -1.02     0.672
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  19
M  SMT   1  OCH3
M  SVB   1 19    -3.046    0.9697
S  SKP  8
ID	FL1CELNS0001
KNApSAcK_ID	C00006991
NAME	6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone
CAS_RN	93827-68-0
FORMULA	C22H26O9
EXACTMASS	434.15768243
AVERAGEMASS	434.43644
SMILES	COc(c1C(=O)C=Cc(c2)c(OC)c(c(c2OC)OC)OC)c(c(cc1O)OC)OC
M  END

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