Mol:FL5FGANI0003

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FL5FGANI0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 34  0  0  0  0  0  0  0  0999 V2000 
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   -0.3744   -0.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.4499    0.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5665   -0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1985   -0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7721   -2.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5382   -2.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8730   -1.0751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2410   -1.6054    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 
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 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
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 21 22  1  0  0  0  0 
 21 23  2  0  0  0  0 
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 22 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
  8 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
  2 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  31  32 
M  SBL   3  1  33 
M  SMT   3  OCH3 
M  SVB   3 33   -2.9555   -1.1929 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  29  30 
M  SBL   2  1  31 
M  SMT   2  OCH3 
M  SVB   2 31     0.183   -1.4906 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29     2.241     0.661 
S  SKP  8 
ID	FL5FGANI0003 
KNApSAcK_ID	C00004935 
NAME	Pratensin A;5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone 8-tiglate;(E)-5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid 
CAS_RN	142609-00-5 
FORMULA	C23H22O9 
EXACTMASS	442.126382302 
AVERAGEMASS	442.41538 
SMILES	O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c(OC(C(C)=CC)=O)1)O)OC 
M  END
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