Mol:FLIDHYNS0004

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FLIDHYNS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 27  0  0  0  0  0  0  0  0999 V2000 
   -2.1783    0.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1783    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6220   -0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0657    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0657    0.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6220    1.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5094   -0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0469    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0469    0.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5094    1.1242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6030   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6030   -0.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1978   -1.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7926   -0.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7926   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1978    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5077   -0.8469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8495    1.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4458   -1.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8495   -0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4458    0.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6030    1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3175    0.7116    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 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  1  0  0  0  0 
 12 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
  9 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  26 
M  SMT   1 OCH3 
M  SBV   1 26   -5.5987    4.5685 
S  SKP  8 
ID	FLIDHYNS0004 
KNApSAcK_ID	C00010011 
NAME	Sophoracarpan B;6-Methoxymaackiain;(6R,6aS,11aR)-3-Hydroxy-6-methoxy-8,9-methylenedioxypterocarpan 
CAS_RN	104700-88-1 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COC(O1)C(c43)C(Oc(cc(O5)c(OC5)c4)3)c(c2)c(cc(O)c2)1 
M  END
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