Mol:FL6F1CNM0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1291   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291   -0.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286   -1.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282   -0.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286    0.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6647   -1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273   -0.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6277    0.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8872   -0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015    0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8872    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728    0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    0.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148   -0.1539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286    0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148    1.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.6201    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
  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  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 11  1  0  0  0  0
  9 17  1  1  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
  6 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1 OCH3
M  SBV   1 23   -6.7371    4.1099
S  SKP  8
ID	FL6F1CNM0001
KNApSAcK_ID	C00000952
NAME	7,3'-Dihydroxy-4'-methoxy-8-methylflavan
CAS_RN	87733-81-1
FORMULA	C17H18O4
EXACTMASS	286.120509064
AVERAGEMASS	286.32241999999997
SMILES	COc(c3)c(O)cc(c3)C([H])(C1)Oc(c(C)2)c(ccc(O)2)C1
M  END

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