Mol:FLND2ANS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.9335    1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556    0.4814    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3323    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556    1.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9335    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3888    0.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3888    0.1159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556   -2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2908    2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7908    2.9650    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  2  0  0  0  0
  8  3  2  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
  5 11  1  0  0  0  0
 11 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 11  1  0  0  0  0
  9 17  2  0  0  0  0
  5 18  1  6  0  0  0
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -1.2908     2.099
S  SKP  8
ID	FLND2ANS0001
KNApSAcK_ID	C00010253
NAME	(S)-4'-Hydroxy-4-methoxydalbergione
CAS_RN	3755-63-3
FORMULA	C16H14O4
EXACTMASS	270.089208936
AVERAGEMASS	270.27996
SMILES	COc(c2)c(=O)cc(c(=O)2)[C@]([H])(C=C)c(c1)ccc(O)c1
M  END

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