Mol:FL3FACGS0026

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 47  0  0  0  0  0  0  0  0999 V2000 
    0.2952    0.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2952    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7463    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1973    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1973    0.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7463    1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6484    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0995    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0995    0.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6484    1.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6484   -0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5504    1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0101    0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4698    1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4698    1.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0101    1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5504    1.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2243    1.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7463   -0.4015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0641    2.0339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0101    2.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9363    1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4206    0.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6781    0.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9617    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4823    1.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2408    0.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5128    0.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2245    0.4082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2527    0.0219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1375    1.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6739    1.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8393   -1.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3537   -1.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6938   -0.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6938   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1795   -0.6722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8393   -1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6718   -2.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3537   -2.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2338   -0.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3497   -1.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0641   -1.3408    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 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 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 18  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 27  1  0  0  0  0 
 33 34  1  1  0  0  0 
 34 35  1  1  0  0  0 
 36 35  1  1  0  0  0 
 36 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
 38 33  1  0  0  0  0 
 33 39  1  0  0  0  0 
 34 40  1  0  0  0  0 
 36 29  1  0  0  0  0 
 35 41  1  0  0  0  0 
 38 42  1  0  0  0  0 
 42 43  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  42  43 
M  SBL   1  1  46 
M  SMT   1 ^CH2OH 
M  SBV   1 46   -6.1880    5.1279 
S  SKP  8 
ID	FL3FACGS0026 
KNApSAcK_ID	C00004285 
NAME	Luteolin 7-laminaribioside 
CAS_RN	29276-58-2 
FORMULA	C27H30O16 
EXACTMASS	610.153384912 
AVERAGEMASS	610.5175 
SMILES	c(c1)c(c(O)cc1C(=C2)Oc(c3)c(c(cc3OC(C(O)4)OC(C(O)C4OC(C(O)5)OC(C(O)C(O)5)CO)CO)O)C(=O)2)O 
M  END