Mol:FL2FABNI0002

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.1998   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790   -1.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1581   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1581   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790   -0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6372   -1.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6372   -0.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041   -0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6372   -1.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9384   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4728   -0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4728    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9384    0.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6603    0.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1787    0.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1787    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110    1.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6464    1.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790   -1.7249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063    0.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    0.4438    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
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19  5  1  0  0  0  0
  2 24  1  0  0  0  0
 15 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  27
M  SMT   1 OCH3
M  SBV   1 27   -4.8649    4.3088
S  SKP  8
ID	FL2FABNI0002
KNApSAcK_ID	C00008453
NAME	5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone
CAS_RN	120727-36-8
FORMULA	C21H22O5
EXACTMASS	354.146723814
AVERAGEMASS	354.39638
SMILES	C(=O)(C2)c(c1OC2c(c3)ccc(OC)c3)c(cc(O)c(CC=C(C)C)1)O
M  END

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