Mol:FLIBAENI0001

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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   -2.1831    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    1.2220    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0421    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392    2.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6268    0.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    1.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3802   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1942   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878    0.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7878    0.2142    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  6  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 13 19  1  0  0  0  0
  3 20  1  0  0  0  0
 19 21  1  0  0  0  0
 15 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28    2.0247    0.0079
S  SKP  8
ID	FLIBAENI0001
KNApSAcK_ID	C00009963
NAME	3S-5,7,3'-Trihydroxy-4'-methoxy-5'-prenylisoflavanone
CAS_RN	123828-67-1
FORMULA	C21H22O6
EXACTMASS	370.141638436
AVERAGEMASS	370.39578
SMILES	COc(c(O)3)c(cc(c3)[C@H](C(=O)1)COc(c2)c1c(cc(O)2)O)CC=C(C)C
M  END

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