Mol:FL63AGNS0015

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

FL63AGNS0015.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.2633    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633    0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1863    0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1863    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248    1.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6478   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6478    1.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8016    1.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4597    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4597    1.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150    1.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    1.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150    2.5814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3127   -0.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    1.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3127   -1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3902   -1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248   -0.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0152   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0152   -2.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6107   -2.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -2.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6107   -1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016   -2.5814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    0.6954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  1  6  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
  8 19  1  6  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
  3 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 14 31  1  0  0  0  0
S  SKP  8
ID	FL63AGNS0015
KNApSAcK_ID	C00008902
NAME	Epigallocatechin 3-O-(4-hydroxybenzoate)
CAS_RN	159390-94-0
FORMULA	C22H18O9
EXACTMASS	426.095082174
AVERAGEMASS	426.37292
SMILES	c(c1)(O)cc(O3)c(CC(C(c(c4)cc(O)c(O)c(O)4)3)OC(=O)c(c2)ccc(c2)O)c(O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox