Mol:FLIAE8NS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
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   -2.2825    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0573    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.7262   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8386    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0954   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9970    0.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2825    0.2159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9970   -0.1966    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 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
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  SBV   1 23   -6.9116    3.3408 
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  SBV   2 25   -5.6030    3.5924 
S  SKP  8 
ID	FLIAE8NS0003 
KNApSAcK_ID	C00009472 
NAME	Podospicatin;5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone 
CAS_RN	479-97-0 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)cc(c(O)c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1 
M  END