Mol:FL2F1ANS0003

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FL2F1ANS0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.1953   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6745   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1536   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1536    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6745    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1953    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6327   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1118   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1118    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6327    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6327   -1.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9429    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4773    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4773    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9429    1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7162    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0017    1.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7162    0.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  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
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
 15 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  21
M  SMT   1 OCH3
M  SBV   1 21   -7.4062    5.5566
S  SKP  8
ID	FL2F1ANS0003
KNApSAcK_ID	C00008429
NAME	4'-Methylliquiritigenin
CAS_RN	116384-18-0
FORMULA	C16H14O4
EXACTMASS	270.089208936
AVERAGEMASS	270.27996
SMILES	COc(c3)ccc(c3)C(C1)Oc(c2)c(ccc(O)2)C(=O)1
M  END

</pre>

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