Mol:FL6FDCNS0001

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0624   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -0.2105    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3935    0.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197    0.4082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9198    1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9425   -1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2281   -1.7471    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
 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
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -1.9425   -1.3346
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    0.4082
S  SKP  8
ID	FL6FDCNS0001
KNApSAcK_ID	C00008762
NAME	3',4'-Dihydroxy-5,7-dimethoxyflavan
CAS_RN	53846-42-7
FORMULA	C17H18O5
EXACTMASS	302.115423686
AVERAGEMASS	302.32182
SMILES	COc(c1)cc(O2)c(CCC2c(c3)cc(O)c(O)c3)c(OC)1
M  END

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