Mol:FL3FGCNS0007

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FL3FGCNS0007.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2622   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9523    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9523    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1101    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202    0.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8201    1.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1286    0.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6920    1.6570    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 
  2 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 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 
  6 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27   -1.1286    0.7574 
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   -2.3202     0.482 
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    1.6687    1.7424 
S  SKP  8 
ID	FL3FGCNS0007 
KNApSAcK_ID	C00003931 
NAME	Thymonin;Majoranin;Mucroflavone B;5,6,4'-Trihydroxy-7,8,3'-trimethoxyflavone;5,6-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	76844-67-2 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	O(C(c(c3)cc(OC)c(O)c3)=2)c(c1OC)c(C(=O)C2)c(c(c1OC)O)O 
M  END
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