Mol:FLIDHXNI0008

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FLIDHXNI0008.png

 
 
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 28 31  0  0  0  0  0  0  0  0999 V2000 
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   -1.5952    2.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4826    1.1058    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
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    2.4136    1.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2246   -0.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.2258   -1.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4118   -1.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8188   -2.4269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8194    0.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8194    0.4192    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  1  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 
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  7 17  1  0  0  0  0 
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 23 26  1  0  0  0  0 
 14 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  30 
M  SMT   1  OCH3 
M  SVB   1 30    2.0563    0.2129 
S  SKP  8 
ID	FLIDHXNI0008 
KNApSAcK_ID	C00010021 
NAME	Sphenostylin C;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan 
CAS_RN	115610-57-6 
FORMULA	C21H24O7 
EXACTMASS	388.152203122 
AVERAGEMASS	388.41106 
SMILES	c(c1)(c(OC)c(CCC(C)(C)O)c(O2)c1C(C4)(O)C(c(c3O4)ccc(O)c3)2)O 
M  END
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