Mol:FL2FBANC0006

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 48  0  0  0  0  0  0  0  0999 V2000 
   -0.2824   -2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0011   -2.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4280   -2.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4192   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2995   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0097   -1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3081   -0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0268    0.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7369   -0.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7284   -1.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3959    0.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4039    0.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1224    1.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8328    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8247    0.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1062   -0.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4293    1.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2751   -3.4081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3356   -3.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1422   -2.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8542   -2.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8471   -1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1313   -0.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1467   -3.3365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3114    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3064    0.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8620    1.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3225    1.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3278    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0790    2.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0844    3.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8016    3.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5133    3.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5079    2.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7907    2.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0454    3.6406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4355   -1.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1527   -1.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8644   -1.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8589   -0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1418    0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4300   -0.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4293    0.1030    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  1  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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23  4  1  0  0  0  0 
 20 24  2  0  0  0  0 
  7 25  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  6  0  0  0 
 26 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  2  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35 30  1  0  0  0  0 
 33 36  1  0  0  0  0 
 22 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	FL2FBANC0006 
KNApSAcK_ID	C00014290 
NAME	Calyxin M 
CAS_RN	332877-84-6 
FORMULA	C35H34O8 
EXACTMASS	582.225368064 
AVERAGEMASS	582.63966 
SMILES	O(c52)C(CC(CC(O)CCc(c6)ccc(c6)O)c2c(c(c(c5)OC)4)OC(CC(=O)4)c(c3)ccc(c3)O)c(c1)ccc(O)c1 
M  END