Mol:FL1CAANP0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 39 42  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 
  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 
S  SKP  8 
ID	FL1CAANP0004 
KNApSAcK_ID	C00007161 
NAME	4-Hydroxyrottlerin 
CAS_RN	24593-75-7 
FORMULA	C30H28O9 
EXACTMASS	532.173332494 
AVERAGEMASS	532.53792 
SMILES	c(C(C)=O)(c(O)1)c(O)c(Cc(c2O)c(O)c(C=4)c(OC(C)(C)C4)c2C(=O)C=Cc(c3)ccc(c3)O)c(O)c1C 
M  END