Mol:FLID1CNS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 24  0  0  0  0  0  0  0  0999 V2000 
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   -2.3574    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6884   -0.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1321    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1321    0.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6884    1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4239   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4239   -0.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0187   -1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6135   -0.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6135   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0187    0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6867   -0.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.2077   -1.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2077    0.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9222   -0.1991    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 
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  8 11  1  0  0  0  0 
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  7 17  1  0  0  0  0 
 18  1  1  0  0  0  0 
 14 19  1  0  0  0  0 
 12 17  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  23 
M  SMT   1 OCH3 
M  SBV   1 23   -5.7397    4.6212 
S  SKP  8 
ID	FLID1CNS0006 
KNApSAcK_ID	C00009994 
NAME	Kushenin;3,9-Dihydroxy-8-methoxypterocarpan 
CAS_RN	99217-66-0 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c(O)4)cc(c(c4)3)C(C1)C(O3)c(c2)c(cc(O)c2)O1 
M  END