Mol:FLIDHXNI0006

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FLIDHXNI0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
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   -0.4809    0.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4136    1.2258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.8188   -1.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8188   -1.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2258   -2.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4118   -2.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8194    0.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8194    0.1960    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 
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  4  7  1  0  0  0  0 
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 14 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29    2.0563   -0.0103 
S  SKP  8 
ID	FLIDHXNI0006 
KNApSAcK_ID	C00010019 
NAME	Sphenostylin B;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-prenylpterocarpan 
CAS_RN	115610-55-4 
FORMULA	C21H22O6 
EXACTMASS	370.141638436 
AVERAGEMASS	370.39578 
SMILES	c(c43)(ccc(O)c4)C(C(CO3)(O)1)Oc(c(CC=C(C)C)2)c(cc(c(OC)2)O)1 
M  END
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