Mol:FL5FAAGS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -0.3360    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3360   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2203   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7766   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7766    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2203    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3329   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8893   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8893    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3329    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3329   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4453    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0123    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5793    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5793    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0123    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4453    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2203   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8921    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1461    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3212   -0.8838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5947    0.4813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -3.0791   -0.1993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.3366    0.0894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.6201    0.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.1407    0.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7903    0.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -4.1461    0.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0791   -1.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9111   -0.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9877    1.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9434    1.4331    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 19  1  0  0  0  0 
 27 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  CH2OH 
M  SVB   1 34   -2.9877    1.1386 
S  SKP  8 
ID	FL5FAAGS0012 
KNApSAcK_ID	C00005147 
NAME	Kaempferol 7-alloside 
CAS_RN	765949-92-6 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)1)O 
M  END