Mol:FLIDBANI0001

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FLIDBANI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -2.0044    1.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0044    1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4481    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8918    1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8918    1.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4481    2.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3355    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2208    1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2208    1.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3355    2.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7769    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7769    0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3717   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9665    0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9665    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3717    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3296    0.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5607   -0.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5607    2.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3717   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9647   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9647   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3729   -2.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5565   -2.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8845    0.7396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1700    0.3271    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  7 17  1  0  0  0  0 
  1  2  1  0  0  0  0 
 12 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  28 
M  SMT   1 OCH3 
M  SBV   1 28   -5.5511    3.4563 
S  SKP  8 
ID	FLIDBANI0001 
KNApSAcK_ID	C00009654 
NAME	1-Methoxyphaseollidin;3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan 
CAS_RN	65428-13-9 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	COc(c21)cc(O)cc1OCC(c34)C2Oc3c(CC=C(C)C)c(cc4)O 
M  END
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