Mol:FL1C1ANI0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 26  0  0  0  0  0  0  0  0999 V2000
    2.0085    0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0085   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1211   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1211    0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    0.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3078   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1954   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1954   -1.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9181    0.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9181   -0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6774    0.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0234   -0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9181   -1.0985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1273   -0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6774   -0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1273   -1.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8280    1.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3280    1.9816    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
 17  5  1  0  0  0  0
 15 18  1  0  0  0  0
 19 16  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 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  SVB   1 25    -1.828    1.1156
S  SKP  8
ID	FL1C1ANI0004
KNApSAcK_ID	C00007064
NAME	4-Hydroxyderricin
CAS_RN	55912-03-3
FORMULA	C21H22O4
EXACTMASS	338.151809192
AVERAGEMASS	338.39698
SMILES	C(c(c1O)c(ccc1C(=O)C=Cc(c2)ccc(O)c2)OC)C=C(C)C
M  END

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