Mol:FL1C1ANS0002

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Copyright: ARM project http://www.metabolome.jp/
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.5893    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5893   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4767   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4767    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3641   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920   -0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091    0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204   -0.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330   -0.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1454    0.5549    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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  20
M  SMT   1 OCH3
M  SBV   1 20   -4.7675    2.9420
S  SKP  8
ID	FL1C1ANS0002
KNApSAcK_ID	C00006926
NAME	Isoliquiritigenin 4-methyl ether
CAS_RN	81674-91-1
FORMULA	C16H14O4
EXACTMASS	270.089208936
AVERAGEMASS	270.27996
SMILES	COc(c2)ccc(c2)C=CC(=O)c(c1)c(O)cc(O)c1
M  END

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