Mol:FL1CHYNF0003

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FL1CHYNF0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7355    0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7355   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6228   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6228    0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629   -0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -0.8274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3464    0.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239    0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3464   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6156   -0.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9011   -0.8991    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  1  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
  9 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  2  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1 OCH3
M  SBV   1 23   -5.7978    3.7563
S  SKP  8
ID	FL1CHYNF0003
KNApSAcK_ID	C00007018
NAME	Pongamol
CAS_RN	484-33-3
FORMULA	C18H14O4
EXACTMASS	294.089208936
AVERAGEMASS	294.30136
SMILES	c(c23)(occ3)ccc(c2OC)C(=O)CC(=O)c(c1)cccc1
M  END

</pre>

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