Mol:FLIDHYNS0001

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FLIDHYNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.2828    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2828    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7265   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1702    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1702    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7265    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6139   -0.1384    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0576    0.1827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0576    0.8251    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.6139    1.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4985   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4985   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0933   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6880   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6880   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0933    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6122   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5540   -1.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4200   -1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6401    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1401    2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4985    1.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2129    0.7337    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 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  9 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25    0.4985    1.1462 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.6401    1.4439 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    1.9256   -1.0314 
S  SKP  8 
ID	FLIDHYNS0001 
KNApSAcK_ID	C00010004 
NAME	6-Methoxyhomopterocarpin;(6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan 
CAS_RN	90686-11-6 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	O(C2OC)c(c(C(O4)C2c(c43)ccc(OC)c3)1)cc(OC)cc1 
M  END
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