Mol:FL2FBANC0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 48  0  0  0  0  0  0  0  0999 V2000 
   -0.6940   -0.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0202   -0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6940   -1.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0211   -2.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7354   -1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7349   -0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4501   -2.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1643   -1.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1638   -0.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4491   -0.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7927   -0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5074   -0.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2217   -0.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2212    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5065    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7923    0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4504   -2.7174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0216   -2.8771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4088   -0.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8211    0.7092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5972   -3.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0202    0.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7347    0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7347    1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0202    2.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6943    1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6943    0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3663    1.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0808    1.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7952    1.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7952    2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0808    3.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3663    2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3768    3.1185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3862    1.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0982    1.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8179    1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8179    2.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5323    3.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2468    2.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2468    1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5323    1.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8211    3.1534    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  6  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 24 28  1  1  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 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 33 28  1  0  0  0  0 
 31 34  1  0  0  0  0 
 26 35  1  6  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	FL2FBANC0009 
KNApSAcK_ID	C00014293 
NAME	Epicalyxin G 
CAS_RN	205313-11-7 
FORMULA	C35H34O8 
EXACTMASS	582.225368064 
AVERAGEMASS	582.63966 
SMILES	c(c6)(ccc(O)c6)C(C2)Oc(c(C(C3)CC(CCc(c5)ccc(c5)O)OC3c(c4)ccc(O)c4)1)c(C2=O)c(cc1O)OC 
M  END