Mol:FLIDHXNI0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
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   -0.8933    0.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7756    0.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2193    1.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9265   -1.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5213   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5213    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9265    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2252   -0.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1155   -1.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3317    0.6520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0057   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.5606   -1.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1155   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.3068    2.4580    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  1 25  1  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28   -1.8068     1.592 
S  SKP  8 
ID	FLIDHXNI0005 
KNApSAcK_ID	C00009690 
NAME	Glyceollin IV;6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan 
CAS_RN	69393-94-8 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	C(C(O)42)Oc(c(C2Oc(c43)cc(O)cc3)1)cc(OC)c(c1)CC=C(C)C 
M  END