Mol:FL5FGGNS0004

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Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.3202   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618   -0.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   -1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6371   -1.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1775    1.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    1.6179    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
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  28  29
M  SBL   4  1  30
M  SMT   4  OCH3
M  SVB   4 30   -1.4859    0.7182
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  26  27
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28   -2.6775    0.4428
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    0.1038   -1.0246
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    2.1618     1.127
S  SKP  8
ID	FL5FGGNS0004
KNApSAcK_ID	C00004861
NAME	5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone
CAS_RN	102673-78-9
FORMULA	C19H18O10
EXACTMASS	406.089996796
AVERAGEMASS	406.34022000000004
SMILES	c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3O)OC)OC)=O)OC)c1
M  END

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