Mol:FL1C1CNS0004

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Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.2321    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2321   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758   -0.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1195   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1195    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758    0.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632   -0.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492   -0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663   -0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663    0.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632   -0.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882    0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882    0.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882   -0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122   -0.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3977   -0.9329    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
 13 17  1  0  0  0  0
  1 18  1  0  0  0  0
 12 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  21
M  SMT   1 OCH3
M  SBV   1 21   -5.4075    2.4231
S  SKP  8
ID	FL1C1CNS0004
KNApSAcK_ID	C00006944
NAME	Sappanchalcone
CAS_RN	94344-54-4
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c2)c(ccc(O)2)C(=O)C=Cc(c1)cc(O)c(O)c1
M  END

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