Mol:FL5FBGGA0001

From Metabolomics.JP
Jump to: navigation, search

FL5FBGGA0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
   -2.8304   -0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8304   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2741   -1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7178   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7178   -0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2741    0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1615   -1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6052   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6052   -0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1615    0.2265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1615   -1.5591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0491    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5178   -0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0848    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0848    0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5178    1.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0491    0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3865    0.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0429   -1.2873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0883   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7007   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4461   -1.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1961   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5838   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8383   -1.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3612   -0.9908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1071   -0.5433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4242   -0.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6516    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5178    1.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6516   -0.1009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6721   -1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3865   -1.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7106   -1.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9961   -1.6313    0.0000 C   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 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
 16 30  1  0  0  0  0 
 14 31  1  0  0  0  0 
 23 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
  3 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1 CH2OH 
M  SBV   1 35   -4.7635    5.3879 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  37 
M  SMT   2 OCH3 
M  SBV   2 37   -5.6759    5.2104 
S  SKP  8 
ID	FL5FBGGA0001 
KNApSAcK_ID	C00005754 
NAME	Myricetin 5-methyl ether 3-galactoside 
CAS_RN	28454-89-9 
FORMULA	C22H22O13 
EXACTMASS	494.10604078999995 
AVERAGEMASS	494.40228 
SMILES	O(C(C(=O)3)=C(Oc(c4)c(c(OC)cc4O)3)c(c2)cc(O)c(O)c(O)2)C(O1)C(O)C(C(C(CO)1)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox