Mol:FL3FACGS0014

From Metabolomics.JP
Jump to: navigation, search

FL3FACGS0014.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -1.5574   -1.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5574   -1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1063   -2.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6552   -1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6552   -1.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1063   -1.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2042   -2.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2469   -1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2469   -1.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2042   -1.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0326   -2.5723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6978   -1.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1575   -1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6172   -1.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6172   -0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1575   -0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6978   -0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0769   -1.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1063   -2.7242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0769   -0.3666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7123    2.3407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.2266    1.8550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.5667    1.2583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.5667    0.5715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.0525    1.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7123    1.6540    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.9337    2.7242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2266    2.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1952    0.9176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1597    0.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5092    1.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0092    2.5200    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 
 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 30  1  0  0  0  0 
 16 30  1  0  0  0  0 
 26 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    1.5092     1.654 
S  SKP  8 
ID	FL3FACGS0014 
KNApSAcK_ID	C00004273 
NAME	Luteolin 3'-glucoside 
CAS_RN	5154-41-6 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)O[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)C1CO 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox