Mol:FLIA2ANS0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1831    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    1.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.7806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -0.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5403    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0402    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -1.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5199   -1.8251    0.0000 C   0  0  0  0  0  0  0  0  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  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23    2.0247   -1.0314
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.5403    1.4439
S  SKP  8
ID	FLIA2ANS0006
KNApSAcK_ID	C00009850
NAME	Alfalone;6-Hydroxy-7,4'-dimethoxyisoflavone
CAS_RN	970-48-9
FORMULA	C17H14O5
EXACTMASS	298.084123558
AVERAGEMASS	298.29006
SMILES	COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)cc(OC)c(O)1
M  END

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