Mol:FL3F3GNS0003

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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   -2.4197   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616    1.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277    1.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853    0.6868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    1.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -0.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276   -0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534    2.5691    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
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 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
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28     1.212    1.6718
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26    1.7052   -0.0926
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24   -2.7769    0.4113
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -1.5853    0.6868
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20    2.0624    1.0956
S  SKP  8
ID	FL3F3GNS0003
KNApSAcK_ID	C00004079
NAME	7,8,3',4',5'-Pentamethoxyflavone
CAS_RN	133342-97-9
FORMULA	C20H20O7
EXACTMASS	372.120902994
AVERAGEMASS	372.3686
SMILES	COc(c1OC)c(cc(C(=C2)Oc(c3OC)c(ccc3OC)C(=O)2)c1)OC
M  END

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