Mol:FL3FG8NS0002

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FL3FG8NS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.7950   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7390   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2652   -0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8473   -1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9033   -1.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3771   -2.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3735   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9557   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0117   -1.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4855   -1.9316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3299   -0.1528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5937   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1300   -1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7234   -1.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7804   -2.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2441   -2.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6507   -2.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4331   -2.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2092   -0.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1146   -2.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0725   -1.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6560   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4931   -2.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0704   -3.3109    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 
  6 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -1.9576      0.77 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.3149   -0.3996 
S  SKP  8 
ID	FL3FG8NS0002 
KNApSAcK_ID	C00003874 
NAME	5,8,2'-Trihydroxy-6,7-dimethoxyflavone 
CAS_RN	77056-21-4 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c(OC)1)c(O)c(O2)c(C(=O)C=C2c(c3)c(O)ccc3)c(O)1 
M  END
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