Mol:FL3FG8NS0001

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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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   -1.4241   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5777   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5777    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0778    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6082    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6082    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0778    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773   -1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236   -1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5480    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1385   -0.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1238   -0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813    0.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2813    1.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587   -0.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6736    0.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641    1.8766    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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
  2 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
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
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   -0.6736    0.9643
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    1.1587   -0.0519
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   -1.7813    0.7372
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   -2.1385   -0.3356
S  SKP  8
ID	FL3FG8NS0001
KNApSAcK_ID	C00001099
NAME	Skullcapflavone II;Neobaicalein
CAS_RN	55084-08-7
FORMULA	C19H18O8
EXACTMASS	374.100167552
AVERAGEMASS	374.34142
SMILES	c(c(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(OC)cccc1O
M  END

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