Mol:FL3FACGS0047

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL3FACGS0047.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 54 59  0  0  0  0  0  0  0  0999 V2000 
   -0.3507   -1.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3507   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1004   -2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5514   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5514   -1.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1004   -1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0025   -2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4535   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4535   -1.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0025   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1742   -2.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9044   -1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3642   -1.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8239   -1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8239   -0.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3642   -0.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9044   -0.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8702   -1.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1004   -2.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4182   -0.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2835   -1.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0822    0.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7104    0.4547    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.5111    1.1522    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7104    1.8539    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.0822    2.2167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.2815    1.5191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.7988    2.7076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1024    2.0802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9731    0.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3966   -0.8612    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.8809   -1.5418    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.1384   -1.2531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.4220   -1.2453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.9426   -0.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7011   -0.9969    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.9731   -1.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6847   -1.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7130   -1.9672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1342   -0.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9965    1.1481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -1.4809    0.4674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.7384    0.7562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.0219    0.7639    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.5425    1.2847    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.1921    0.9418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7103    0.7360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2847    0.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3129    0.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9781    0.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5123    1.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7500    1.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0251    1.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4606    2.2264    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 
 14 21  1  0  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 20 23  1  0  0  0  0 
 31 32  1  1  0  0  0 
 32 33  1  1  0  0  0 
 34 33  1  1  0  0  0 
 34 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 31  1  0  0  0  0 
 31 37  1  0  0  0  0 
 32 38  1  0  0  0  0 
 33 39  1  0  0  0  0 
 36 40  1  0  0  0  0 
 41 42  1  1  0  0  0 
 42 43  1  1  0  0  0 
 44 43  1  1  0  0  0 
 44 45  1  0  0  0  0 
 45 46  1  0  0  0  0 
 46 41  1  0  0  0  0 
 41 47  1  0  0  0  0 
 42 48  1  0  0  0  0 
 43 49  1  0  0  0  0 
 47 40  1  0  0  0  0 
 44 50  1  0  0  0  0 
 34 18  1  0  0  0  0 
 27 51  1  0  0  0  0 
 51 52  1  0  0  0  0 
 45 53  1  0  0  0  0 
 53 54  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  53  54 
M  SBL   2  1  58 
M  SMT   2  CH2OH 
M  SVB   2 58    0.0251    1.3262 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  51  52 
M  SBL   1  1  56 
M  SMT   1  CH2OH 
M  SVB   1 56    2.7006    2.0934 
S  SKP  8 
ID	FL3FACGS0047 
KNApSAcK_ID	C00004307 
NAME	Luteolin 7-gentiobioside-4'-glucoside 
CAS_RN	89718-43-4 
FORMULA	C33H40O21 
EXACTMASS	772.206208342 
AVERAGEMASS	772.6581 
SMILES	O[C@@H]([C@@H](O)1)[C@H](Oc(c6)cc(O)c(c56)C(=O)C=C(O5)c(c3)cc(c(O[C@@H](O4)C(C([C@@H]([C@@H]4CO)O)O)O)c3)O)OC(CO[C@H]([C@@H]2O)OC(CO)[C@@H](O)[C@H]2O)[C@@H]1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox