Mol:FL5FFLNS0004

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Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.4197   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3070   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634    0.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2768    1.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4957    2.3237    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
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  30
M  SMT   5  OCH3
M  SVB   5 30    0.0044    1.4577
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28     1.212    1.7424
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    2.0624    1.1662
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    0.0044   -0.9854
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   -2.7769     0.482
S  SKP  8
ID	FL5FFLNS0004
KNApSAcK_ID	C00004838
NAME	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone
CAS_RN	-
FORMULA	C20H20O9
EXACTMASS	404.11073223799997
AVERAGEMASS	404.3674
SMILES	COc(c1OC)c(ccc(C(O3)=C(C(c(c32)c(cc(c2O)OC)O)=O)OC)1)OC
M  END

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