Mol:FL5FF9NS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.6990   -0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6990   -0.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1427   -1.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5864   -0.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5864   -0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1427    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0300   -1.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5263   -0.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5263   -0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0300    0.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0300   -1.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0823    0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6493   -0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2163    0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2163    0.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6493    1.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0823    0.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0823   -1.1094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1427   -1.7516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1427    0.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.6721    1.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1027    1.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0562    0.4728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5562    1.3388    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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 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
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  8 18  1  0  0  0  0 
  3 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 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26   -2.0562    0.4728 
S  SKP  8 
ID	FL5FF9NS0012 
KNApSAcK_ID	C00004916 
NAME	8-Hydroxygalangin 7-methyl ether 8-acetate 
CAS_RN	69312-51-2 
FORMULA	C18H14O7 
EXACTMASS	342.073952802 
AVERAGEMASS	342.29956000000004 
SMILES	c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)cccc1 
M  END