Mol:FL1CRTNI0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 26  0  0  0  0  0  0  0  0999 V2000
    0.3472    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9035   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4598   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4598    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9035    0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1285   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3535   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4659   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4659   -0.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1321    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1321    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6846    0.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159    0.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1285   -0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672   -0.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1817   -0.8982    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
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  2 12  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 18 21  1  0  0  0  0
  5 22  1  0  0  0  0
  9 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  25
M  SMT   1 OCH3
M  SBV   1 25   -5.6537    3.1384
S  SKP  8
ID	FL1CRTNI0001
KNApSAcK_ID	C00007056
NAME	Licochalcone C
CAS_RN	144506-14-9
FORMULA	C21H22O4
EXACTMASS	338.151809192
AVERAGEMASS	338.39698
SMILES	c(OC)(c(C=CC(=O)c(c2)ccc(O)c2)1)c(c(O)cc1)CC=C(C)C
M  END

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