Mol:FL4DBANM0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.3036    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2173    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2173   -1.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8927    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8927    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8240   -0.7824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3003    1.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7133   -0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989   -1.3454    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  1  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
  8 19  1  6  0  0  0
  1 20  1  0  0  0  0
 15 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1 OCH3
M  SBV   1 24   -8.4439    4.5248
S  SKP  8
ID	FL4DBANM0001
KNApSAcK_ID	C00008593
NAME	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone
CAS_RN	78417-24-0
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c(C)3)c(C(=O)1)c(cc(O)3)OC(c(c2)ccc(O)c2)C(O)1
M  END

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