Mol:FLID1CGS0002

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FLID1CGS0002.png

 
 
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 34 39  0  0  0  0  0  0  0  0999 V2000 
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   -3.8597    1.2959    0.0000 O   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  7  1  0  0  0  0 
  7  8  1  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 
 11  5  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7 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 
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 17 18  2  0  0  0  0 
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 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
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 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22  1  1  0  0  0  0 
 14 12  1  0  0  0  0 
  6 28  1  6  0  0  0 
  7 29  1  6  0  0  0 
 16 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 17  1  0  0  0  0 
 24 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  38 
M  SMT   1 ^CH2OH 
M  SBV   1 38   -6.4944    5.7734 
S  SKP  8 
ID	FLID1CGS0002 
KNApSAcK_ID	C00010186 
NAME	(-)-Maackiain 3-O-glucoside;Trifolirhizin;Sophojaponicin B1 
CAS_RN	6807-83-6 
FORMULA	C22H22O10 
EXACTMASS	446.121296924 
AVERAGEMASS	446.40408 
SMILES	c(c2)(ccc(C([H])34)c2OCC3([H])c(c5)c(cc(O6)c5OC6)O4)OC(C(O)1)OC(CO)C(O)C1O 
M  END
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