Mol:FL6F1ANM0002

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FL6F1ANM0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
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    0.1628   -0.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3935    0.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859   -0.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2859    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061    0.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    1.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197    0.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197    1.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
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  9 11  1  6  0  0  0
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  6 17  1  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.4197     0.449
S  SKP  8
ID	FL6F1ANM0002
KNApSAcK_ID	C00008782
NAME	4'-Hydroxy-7-methoxy-8-methylflavan
CAS_RN	27348-55-6
FORMULA	C17H18O3
EXACTMASS	270.12559444199997
AVERAGEMASS	270.32302
SMILES	COc(c3)c(C)c(O1)c(c3)CC[C@H]1c(c2)ccc(O)c2
M  END

</pre>

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