Mol:FL5F3CNS0003

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9630   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183   -1.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    0.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286    0.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    1.5472    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
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -1.1286    0.6476
S  SKP  8
ID	FL5F3CNS0003
KNApSAcK_ID	C00004662
NAME	3,7,3',4'-Tetrahydroxy-8-methoxyflavone
CAS_RN	38510-54-2
FORMULA	C16H12O7
EXACTMASS	316.058302738
AVERAGEMASS	316.26228000000003
SMILES	COc(c(O)3)c(O1)c(cc3)C(=O)C(O)=C1c(c2)cc(O)c(O)c2
M  END

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