Mol:FLIA3CNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.1831    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    1.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    1.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -1.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392    1.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -1.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488    1.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9124    2.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -1.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5199   -1.7575    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
 10  5  1  0  0  0  0
  8 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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    2.0247   -0.9637
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -1.3488     1.787
S  SKP  8
ID	FLIA3CNS0002
KNApSAcK_ID	C00009408
NAME	3'-Hydroxy-8-O-methylretusin
CAS_RN	53947-99-2
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c1)c(O2)c(OC)c(O)c1
M  END

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