Mol:FL64A9NP0001

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Revision as of 09:00, 7 October 2008

FL64A9NP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
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   -1.3924   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2765    0.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3889    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9559    0.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229    0.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9559    1.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3889    0.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765   -1.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9487    0.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020    1.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229    0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2725   -1.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580   -1.5215    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  6  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
  7 17  1  1  0  0  0
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  27
M  SMT   1 OCH3
M  SBV   1 27   -8.5897    4.0827
S  SKP  8
ID	FL64A9NP0001
KNApSAcK_ID	C00008986
NAME	Hildgardtol B
CAS_RN	104777-98-2
FORMULA	C21H22O4
EXACTMASS	338.151809192
AVERAGEMASS	338.39698
SMILES	COc(c42)cc(O1)c(c2OC(CC4O)c(c3)cccc3)C=CC(C)(C)1
M  END

</pre>

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