Mol:FL5FG8NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
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   -0.4206   -1.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1830   -1.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2946   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1975    0.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8980   -0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3995   -0.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0146   -0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1283    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6269    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0117    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6278   -1.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9199    0.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3338    1.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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  9 10  1  0  0  0  0 
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M  STY  1   6 SUP 
M  SLB  1   6   6 
M  SAL   6  2  29  30 
M  SBL   6  1  31 
M  SMT   6  OCH3 
M  SVB   6 31    0.3617    -0.843 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  27  28 
M  SBL   5  1  29 
M  SMT   5  OCH3 
M  SVB   5 29   -2.7769   -0.5453 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27    2.0624    0.1204 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25    0.3617    1.6001 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.4197    0.6243 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -1.2281    0.8998 
S  SKP  8 
ID	FL5FG8NS0001 
KNApSAcK_ID	C00004785 
NAME	Grantioidinin;2-(2,5-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one 
CAS_RN	135755-50-9 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	O(C)c(c31)c(c(c(c1C(C(=C(O3)c(c2)c(ccc(OC)2)OC)OC)=O)O)OC)OC 
M  END