Mol:FLIDHYNS0002

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FLIDHYNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 28  0  0  0  0  0  0  0  0999 V2000 
   -2.3353    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3353    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.2761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1101    0.0451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1101    0.6874    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.6664    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4460   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4460   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0408   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6356   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6356   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0408    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6646   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2888   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6925   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2888   -0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4460    1.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1605    0.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6925    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1924    2.1723    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 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  9 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -2.6925    1.3062 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25     0.446    1.0085 
S  SKP  8 
ID	FLIDHYNS0002 
KNApSAcK_ID	C00010005 
NAME	6-Methoxypterocarpin;(6S,6aS,11aR)-3,6-Dimethoxy-8,9-methylenedioxypterocarpan 
CAS_RN	90686-10-5 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c45)c(O1)c(cc4OCO5)C(C3OC)C1c(c(O3)2)ccc(OC)c2 
M  END
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