Mol:FL7DACGO0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 42 46  0  0  0  0  0  0  0  0999 V2000 
   -0.4381    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4381   -0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1182   -0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6745   -0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6745    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1182    0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2308   -0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7871   -0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7871    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2308    0.7866    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    2.3432    0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9102    0.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4772    0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4772    1.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9102    1.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3432    1.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0440    1.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9942    0.7865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1182   -1.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9102    2.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4675    0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9519   -0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2094   -0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4929   -0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0135    0.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7720    0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0440    0.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7557   -0.3455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7839   -0.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5187   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0031   -1.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2606   -1.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4620   -1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0648   -1.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8232   -1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0952   -1.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8069   -2.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8352   -2.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0675    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3531    0.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1188   -0.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4043   -1.0578    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  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 
 14 17  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 
 30 31  1  1  0  0  0 
 31 32  1  1  0  0  0 
 33 32  1  1  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 30  1  0  0  0  0 
 30 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 32 38  1  0  0  0  0 
 33 19  1  0  0  0  0 
 26 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 35 41  1  0  0  0  0 
 41 42  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  39  40 
M  SBL   1  1  43 
M  SMT   1 ^CH2OH 
M  SBV   1 43   -4.7926    5.1710 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  41  42 
M  SBL   2  1  45 
M  SMT   2 ^CH2OH 
M  SBV   2 45   -4.7926    5.1710 
S  SKP  8 
ID	FL7DACGS0004 
KNApSAcK_ID	C00006626 
NAME	Luteolinidin 5,7-diglucoside 
CAS_RN	53947-98-1 
FORMULA	C27H31O15 
EXACTMASS	595.166295322 
AVERAGEMASS	595.52604 
SMILES	C(C(O1)C(C(O)C(O)C1Oc(c4)cc([o+1]2)c(c4OC(O5)C(C(C(O)C5CO)O)O)ccc2c(c3)ccc(c(O)3)O)O)O 
M  END