Mol:FL1CRTNI0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 27  0  0  0  0  0  0  0  0999 V2000
    2.0097    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0097   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5660   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1224   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1224    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5660    0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7528   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1967   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1967   -0.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9169    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9169   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221    0.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5746    0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6784    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271   -0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784   -0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784    0.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296   -0.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8441   -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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  26
M  SMT   1 OCH3
M  SBV   1 26   -6.0125    3.9016
S  SKP  8
ID	FL1CRTNI0003
KNApSAcK_ID	C00007089
NAME	Licochalcone D
CAS_RN	144506-15-0
FORMULA	C21H22O5
EXACTMASS	354.146723814
AVERAGEMASS	354.39638
SMILES	COc(c1O)c(C=CC(=O)c(c2)ccc(O)c2CC=C(C)C)ccc(O)1
M  END

</pre>