Mol:FL4DADNI0001

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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   -1.3585   -1.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3167   -1.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2041   -0.2233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.8320    0.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3101    1.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882    0.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8320    0.7166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7402   -1.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540    0.0507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8505    1.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2381    1.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5711    1.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9916    2.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
  9 13  1  6  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  1  0  0  0
  6 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 24 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1  OCH3
M  SVB   1 29    1.5711    1.5811
S  SKP  8
ID	FL4DADNI0001
KNApSAcK_ID	C00008640
NAME	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
CAS_RN	104696-10-8
FORMULA	C21H22O7
EXACTMASS	386.136553058
AVERAGEMASS	386.39518
SMILES	c(c12)(cc(O)c(c1O[C@H](c(c3)cc(c(O)c3)OC)[C@H](C2=O)O)CC=C(C)C)O
M  END

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