Mol:FL3FAAGS0036

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 42 46  0  0  0  0  0  0  0  0999 V2000 
   -0.3625   -0.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3625   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1938   -1.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7501   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7501   -0.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1938   -0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3064   -1.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8627   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8627   -0.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3064   -0.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3064   -2.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4188   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9858   -0.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5527   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5527    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9858    0.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4188    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9186   -0.3176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1938   -2.2443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1196    0.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2312   -0.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7965   -1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1706   -0.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5666   -0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0055   -0.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6449   -0.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1196   -0.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4741   -1.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8119   -1.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0348    0.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0348    0.8057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4213    1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7350    1.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8290    1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5163    1.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9020    1.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5886    1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0381    1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3514    1.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0381    2.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5886    2.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9771    1.7016    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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 18  1  0  0  0  0 
 26 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  2  0  0  0  0 
 37 38  1  0  0  0  0 
 38 39  2  0  0  0  0 
 39 40  1  0  0  0  0 
 40 41  2  0  0  0  0 
 41 36  1  0  0  0  0 
 39 42  1  0  0  0  0 
S  SKP  8 
ID	FL3FAAGS0036 
KNApSAcK_ID	C00004172 
NAME	Apigenin 7-(6''-p-coumarylglucoside) 
CAS_RN	105815-90-5 
FORMULA	C30H26O12 
EXACTMASS	578.1424262959999 
AVERAGEMASS	578.5202400000001 
SMILES	c(O)(c5)ccc(c5)C(O4)=CC(c(c34)c(cc(c3)OC(O1)C(C(O)C(C1COC(C=Cc(c2)ccc(O)c2)=O)O)O)O)=O 
M  END