Mol:FL2FBANC0001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 47  0  0  0  0  0  0  0  0999 V2000 
    0.2961   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0103    0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2961   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0113   -1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7255   -1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7250   -0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4402   -1.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1544   -1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1540   -0.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4393    0.2075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7829    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4976   -0.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2118    0.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2113    0.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4966    1.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7824    0.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4406   -2.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0117   -2.2551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4186    0.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8112    1.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3929   -2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0103    0.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6988    1.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4133    0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1277    1.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1277    2.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4133    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6988    2.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6770    2.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3551    1.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3484    0.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0056    1.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6801    0.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6801    0.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3847    1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1093    0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8436    1.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8436    2.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5581    2.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2725    2.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2725    1.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5581    0.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.8112    2.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  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  6  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 
  7 17  2  0  0  0  0 
  4 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 23  1  0  0  0  0 
 26 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 30 31  2  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  1  0  0  0 
 33 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 37 38  2  0  0  0  0 
 38 39  1  0  0  0  0 
 39 40  2  0  0  0  0 
 40 41  1  0  0  0  0 
 41 42  2  0  0  0  0 
 42 37  1  0  0  0  0 
 40 43  1  0  0  0  0 
S  SKP  8 
ID	FL2FBANC0001 
KNApSAcK_ID	C00014285 
NAME	Calyxin C;2,3-Dihydro-7-hydroxy-8-[(1S,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one 
CAS_RN	193816-82-9 
FORMULA	C35H34O8 
EXACTMASS	582.225368064 
AVERAGEMASS	582.63966 
SMILES	c(O)(c1)ccc(C(C=CCC(O)CCc(c5)ccc(c5)O)c(c42)c(O)cc(OC)c(C(=O)CC(O4)c(c3)ccc(O)c3)2)c1 
M  END