Mol:FL1CACNP0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 40 43  0  0  0  0  0  0  0  0999 V2000
    2.5722    0.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5722    0.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1285   -0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1285    0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4390    0.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953   -0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3220    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -0.9334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3220    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307    0.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307   -0.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307   -0.9161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358   -0.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358    0.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746    0.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746    1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3220    1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307    1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0486    2.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732    1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533   -0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0978   -0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0978   -1.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256   -1.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533   -1.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256    0.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6694   -0.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2409   -0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6694    0.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6694   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256   -2.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3818   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409    0.9712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409   -0.3133    0.0000 O   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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 13  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 29 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 38  1  0  0  0  0
  5 39  1  0  0  0  0
  4 40  1  0  0  0  0
S  SKP  8
ID	FL1CACNP0001
KNApSAcK_ID	C00007160
NAME	3,4-Dihydroxyrottlerin
CAS_RN	24650-82-6
FORMULA	C30H28O10
EXACTMASS	548.168247116
AVERAGEMASS	548.53732
SMILES	C(c(c4)ccc(c4O)O)=CC(c(c2O)c(c1c(O)c2Cc(c3O)c(O)c(c(c(C(C)=O)3)O)C)OC(C)(C)C=C1)=O
M  END

</pre>