Mol:FL3FFCGS0003

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

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

FL3FFCGS0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.5808   -0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5808   -1.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -1.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.3385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -1.7863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6744   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341   -0.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5938   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5938    0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341    0.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6744    0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341    1.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297   -1.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0336   -0.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297    0.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3909    1.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847    1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4973    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8729    0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634    1.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7974    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    1.8788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0003    1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859    0.0791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693    1.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7548    1.4874    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
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 15  1  0  0  0  0
  6 22  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 22  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  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   -7.5455    3.4576
S  SKP  8
ID	FL3FFCGS0003
KNApSAcK_ID	C00004419
NAME	8-Hydroxyluteolin 8-glucoside;Hypolaetin 8-O-beta-D-glucoside
CAS_RN	27686-36-8
FORMULA	C21H20O12
EXACTMASS	464.095476104
AVERAGEMASS	464.37629999999996
SMILES	c(c1)(O)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(OC(C(O)2)OC(CO)C(O)C2O)c1O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox