Mol:FLIA1CGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 36  0  0  0  0  0  0  0  0999 V2000 
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    0.4247    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4247    0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0015   -0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1314   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.4714   -1.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
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  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
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 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  35 
M  SMT   1 ^CH2OH 
M  SBV   1 35   -4.8546    5.7257 
S  SKP  8 
ID	FLIA1CGS0001 
KNApSAcK_ID	C00010085 
NAME	Pseudobaptigenin 7-O-glucoside;Rothindin 
CAS_RN	63347-43-3 
FORMULA	C22H20O10 
EXACTMASS	444.10564686 
AVERAGEMASS	444.3882 
SMILES	c(O5)(c4OC5)cc(cc4)C(C(=O)1)=COc(c2)c(ccc2OC(C(O)3)OC(CO)C(O)C3O)1 
M  END