Mol:FLIDHXNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 28  0  0  0  0  0  0  0  0999 V2000 
    0.0508   -0.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3877   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2119    0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1752    0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.9269    0.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.9269    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7301   -0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7301   -0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3017   -1.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8733   -0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8733   -0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3017    0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5011   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8890   -0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5011    0.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8861    0.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0640    1.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  1  0  0  0  0 
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  6  7  2  0  0  0  0 
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  8  9  2  0  0  0  0 
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  1 13  1  0  0  0  0 
  2 22  1  1  0  0  0 
  8 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  27 
M  SMT   1 ^OCH3 
M  SBV   1 27   -5.2740    4.7210 
S  SKP  8 
ID	FLIDHXNS0001 
KNApSAcK_ID	C00000651 
NAME	(+)-Pisatin;6a-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan 
CAS_RN	469-01-2 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c5)cc(O4)c(c5)C([H])(O1)C(O)(C4)c(c2)c(cc(O3)c(OC3)2)1 
M  END