Mol:FLIA2ANS0001

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7681    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7681    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676    1.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2337    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2337    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2682    1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667   -0.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980   -0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941   -1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4825    0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4678    0.5828    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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 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   -2.4825    0.4121
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    1.7681   -0.7426
S  SKP  8
ID	FLIA2ANS0001
KNApSAcK_ID	C00002507
NAME	Afrormosin;Afromosin;Castanin
CAS_RN	550-79-8
FORMULA	C17H14O5
EXACTMASS	298.084123558
AVERAGEMASS	298.29006
SMILES	COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1
M  END

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